InterPAD - DETAILS

Venetoclax, 1257044-40-8, ABT-199, Venclexta, GDC-0199, ABT199, ABT 199, venclyxto, RG7601, UNII-N54AIC43PW, GDC 0199, RG-7601, Venetoclax (ABT199), N54AIC43PW, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Venetoclax; Abt-199, Venetoclax (ABT-199), ABT-199 (GDC-0199), CHEBI:133021, DTXSID30154863, 4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-((tetrahydro-2H-pyran-4-ylmethyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzamide, benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-n-((3-nitro-4-(((tetrahydro-2h-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)-, ABT 199 (Venetoclax), 2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy, 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide, Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, BDBM189459, ABT 199 (>99%)(Venetoclax), 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide, 4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((3-NITRO-4-((TETRAHYDRO-2HPYRAN-4-YLMETHYL) AMINO)PHENYL)SULFONYL)-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZAMIDE, 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Venetoclax [USAN:INN], venetoclaxum, Venclexta (TN), 4-(4-((4'-chloro-5,5-dimethyl(3,4,5,6-tetrahydro(1,1'-biphenyl))-2-yl)methyl)piperazin-1-yl)-N-(3-nitro-4-(((oxan-4-yl)methyl)amino)benzene-1-sulfonyl)-2-((1H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide, VENETOCLAX [MI], Venetoclax(ABT-199), VENETOCLAX [INN], VENETOCLAX [JAN], VENETOCLAX [USAN], Venetoclax(ABT-199)?, VENETOCLAX [WHO-DD], MLS006010298, SCHEMBL523816, Venetoclax (JAN/USAN/INN), AMY343, GTPL8318, CHEMBL3137309, DTXCID0077354, SCHEMBL19236295, VENETOCLAX [ORANGE BOOK], BDBM60828, EX-A168, L01XX52, HMS3653J06, HMS3745E07, ABT-0199, BCP06811, BDBM50162774, MFCD23160052, NSC766270, AKOS025289539, CCG-270543, CS-1155, DB11581, KS-1470, NSC-766270, SB16499, NCGC00345789-01, NCGC00345789-05, NCGC00345789-10, NCGC00345789-11, AC-28754, DA-35360, HY-15531, SMR004701366, FT-0699586, NS00073446, S8048, SW219672-1, D10679, US9174982, 5, EN300-7399830, A850921, US9174982, 369, J-005269, Q23671272, Z2037279542, )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, GDC-0199 , ABT 199 , ABT-199 , ABT199, 4-(4-((2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((oxan-4-yl)methyl)amino)phenyl)sulfonyl)-2-((1H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide, 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl, 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, ABT-199; 2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy

No.	Title	Href
1	Platycodin D induces apoptotic cell death through PI3K/AKT and MAPK/ERK pathways and synergizes with venetoclax in acute myeloid leukemia. Eur J Pharmacol. 2023 Oct 5;956:175957. doi: 10.1016/j.ejphar.2023.175957.	`Click`
2	Oridonin Synergistically Enhances the Pro-Apoptotic Effect of Venetoclax on Acute Myeloid Leukemia Cells by Inhibiting AKT Signaling. Front Biosci (Landmark Ed). 2023 Sep 6;28(9):195. doi: 10.31083/j.fbl2809195.	`Click`
3	Embelin potentiates venetoclax-induced apoptosis in acute myeloid leukemia cells. Toxicol In Vitro. 2021 Oct;76:105207. doi: 10.1016/j.tiv.2021.105207.	`Click`
4	Artesunate improves venetoclax plus cytarabine AML cell targeting by regulating the Noxa/Bim/Mcl-1/p-Chk1 axis. Cell Death Dis. 2022 Apr 20;13(4):379. doi: 10.1038/s41419-022-04810-z.	`Click`

No.

Title

Href

Platycodin D induces apoptotic cell death through PI3K/AKT and MAPK/ERK pathways and synergizes with venetoclax in acute myeloid leukemia. Eur J Pharmacol. 2023 Oct 5;956:175957. doi: 10.1016/j.ejphar.2023.175957.

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Oridonin Synergistically Enhances the Pro-Apoptotic Effect of Venetoclax on Acute Myeloid Leukemia Cells by Inhibiting AKT Signaling. Front Biosci (Landmark Ed). 2023 Sep 6;28(9):195. doi: 10.31083/j.fbl2809195.

Click

Embelin potentiates venetoclax-induced apoptosis in acute myeloid leukemia cells. Toxicol In Vitro. 2021 Oct;76:105207. doi: 10.1016/j.tiv.2021.105207.

Click

Artesunate improves venetoclax plus cytarabine AML cell targeting by regulating the Noxa/Bim/Mcl-1/p-Chk1 axis. Cell Death Dis. 2022 Apr 20;13(4):379. doi: 10.1038/s41419-022-04810-z.

Click

Name	Venetoclax
PubChem CID	49846579
Molecular Weight	868.4g/mol
Synonyms	Venetoclax, 1257044-40-8, ABT-199, Venclexta, GDC-0199, ABT199, ABT 199, venclyxto, RG7601, UNII-N54AIC43PW, GDC 0199, RG-7601, Venetoclax (ABT199), N54AIC43PW, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Venetoclax; Abt-199, Venetoclax (ABT-199), ABT-199 (GDC-0199), CHEBI:133021, DTXSID30154863, 4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-((tetrahydro-2H-pyran-4-ylmethyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzamide, benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-n-((3-nitro-4-(((tetrahydro-2h-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)-, ABT 199 (Venetoclax), 2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy, 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide, Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, BDBM189459, ABT 199 (>99%)(Venetoclax), 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide, 4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((3-NITRO-4-((TETRAHYDRO-2HPYRAN-4-YLMETHYL) AMINO)PHENYL)SULFONYL)-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZAMIDE, 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Venetoclax [USAN:INN], venetoclaxum, Venclexta (TN), 4-(4-((4'-chloro-5,5-dimethyl(3,4,5,6-tetrahydro(1,1'-biphenyl))-2-yl)methyl)piperazin-1-yl)-N-(3-nitro-4-(((oxan-4-yl)methyl)amino)benzene-1-sulfonyl)-2-((1H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide, VENETOCLAX [MI], Venetoclax(ABT-199), VENETOCLAX [INN], VENETOCLAX [JAN], VENETOCLAX [USAN], Venetoclax(ABT-199)?, VENETOCLAX [WHO-DD], MLS006010298, SCHEMBL523816, Venetoclax (JAN/USAN/INN), AMY343, GTPL8318, CHEMBL3137309, DTXCID0077354, SCHEMBL19236295, VENETOCLAX [ORANGE BOOK], BDBM60828, EX-A168, L01XX52, HMS3653J06, HMS3745E07, ABT-0199, BCP06811, BDBM50162774, MFCD23160052, NSC766270, AKOS025289539, CCG-270543, CS-1155, DB11581, KS-1470, NSC-766270, SB16499, NCGC00345789-01, NCGC00345789-05, NCGC00345789-10, NCGC00345789-11, AC-28754, DA-35360, HY-15531, SMR004701366, FT-0699586, NS00073446, S8048, SW219672-1, D10679, US9174982, 5, EN300-7399830, A850921, US9174982, 369, J-005269, Q23671272, Z2037279542, )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, GDC-0199 , ABT 199 , ABT-199 , ABT199, 4-(4-((2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((oxan-4-yl)methyl)amino)phenyl)sulfonyl)-2-((1H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide, 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl, 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, ABT-199; 2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy
Drug Type	Small molecule
Formula	C₄₅H₅₀ClN₇O₇S
SMILES	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C
InChI	1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
InChIKey	LQBVNQSMGBZMKD-UHFFFAOYSA-N
CAS Number	1257044-40-8
ChEMBL ID	CHEMBL3137309
ChEBI ID	CHEBI:133021
Drug Bank ID	DB11581
KEGG ID	D10679
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Pair Name	Platycodin D, Venetoclax
Partner Name	Platycodin D
Disease Info	[ICD-11: 2A60.Z]	Acute myeloid leukemia		Investigative
Biological Phenomena	Induction-->Blockade of cell cycle in G0/G1 phase
Gene Regulation	Down-regulation	Phosphorylation	AKT1	hsa207
	Up-regulation	Expression	BAK1	hsa578
	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BCL2	hsa596
	Up-regulation	Expression	BCL-xL	hsa598
	Up-regulation	Expression	BIM	hsa10018
	Up-regulation	Cleavage	CASP3	hsa836
	Down-regulation	Expression	CYCS	hsa54205
	Down-regulation	Phosphorylation	GSK3B	hsa2932
	Down-regulation	Phosphorylation	MAPK1	hsa5594
	Up-regulation	Expression	MCL1	hsa4170
	Up-regulation	Cleavage	PARP1	hsa142
	Down-regulation	Phosphorylation	S6K1	KEGG ID N.A.
In Vitro Model	MV4-11	Childhood acute monocytic leukemia	Homo sapiens (Human)	CVCL_0064
In Vitro Model	THP-1	Childhood acute monocytic leukemia	Homo sapiens (Human)	CVCL_0006
Result	Platycodin D may be a potent therapeutic candidate for the treatment of AML

Pair Name	Oridonin, Venetoclax
Partner Name	Oridonin
Disease Info	[ICD-11: 2A60.Z]	Acute myeloid leukemia		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Phosphorylation	AKT1	hsa207
	Down-regulation	Expression	BAD	hsa572
	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BCL-xL	hsa598
	Up-regulation	Expression	BIM	hsa10018
	Up-regulation	Cleavage	CASP3	hsa836
	Down-regulation	Expression	CCND1	hsa595
	Down-regulation	Phosphorylation	CDK2	hsa1017
	Up-regulation	Expression	CDKN1A	hsa1026
	Down-regulation	Phosphorylation	GSK3B	hsa2932
	Up-regulation	Expression	H2AX	hsa3014
	Down-regulation	Expression	MCL1	hsa4170
	Down-regulation	Expression	MDM2	hsa4193
	Down-regulation	Expression	MYC	hsa4609
	Up-regulation	Cleavage	PARP1	hsa142
	Up-regulation	Expression	TP53	hsa7157
In Vitro Model	MOLM-13	Adult acute myeloid leukemia	Homo sapiens (Human)	CVCL_2119
	OCI-AML-3	Adult acute myeloid leukemia	Homo sapiens (Human)	CVCL_1844
	U-937	Adult acute monocytic leukemia	Homo sapiens (Human)	CVCL_0007
	THP-1	Childhood acute monocytic leukemia	Homo sapiens (Human)	CVCL_0006
In Vivo Model	5×10⁶ OCI-AML3 cells stably expressing luciferase were injected into the tail vein of NTG mice, and in vivo imaging was performed on the fourth day to confirm successful establishment of the AML xenografts.
Result	Oridonin and venetoclax synergistically promote AML cell apoptosis by inhibiting AKT signaling.

Pair Name	Embelin, Venetoclax
Partner Name	Embelin
Disease Info	[ICD-11: 2A60.Z]	Acute myeloid leukemia		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	BCL2	hsa596
Gene Regulation	Down-regulation	Expression	XIAP	hsa331
In Vitro Model	MOLM-13	Adult acute myeloid leukemia	Homo sapiens (Human)	CVCL_2119
	MV4-11	Childhood acute monocytic leukemia	Homo sapiens (Human)	CVCL_0064
	OCI-AML-3	Adult acute myeloid leukemia	Homo sapiens (Human)	CVCL_1844
	Kasumi-1	Childhood acute myeloid leukemia with maturation	Homo sapiens (Human)	CVCL_0589
Result	The inhibition of both apoptosis inhibitory players, BCL2 and XIAP, by venetoclax and embelin, respectively, potentiated their cytotoxic effects in AML cell lines.

Pair Name	Artesunate, Venetoclax
Partner Name	Artesunate
Disease Info	[ICD-11: 2A60.Z]	Acute myeloid leukemia		Investigative
Biological Phenomena	Induction-->DNA damage
Gene Regulation	Up-regulation	Expression	BCL2L11	KEGG ID N.A.
	Up-regulation	Cleavage	CASP3	hsa836
	Down-regulation	Phosphorylation	CHEK1	hsa1111
	Up-regulation	Expression	H2AX	hsa3014
	Down-regulation	Expression	MCL1	hsa4170
	Up-regulation	Cleavage	PARP1	hsa142
	Down-regulation	Expression	PMAIP1	hsa5366
In Vitro Model	THP-1	Childhood acute monocytic leukemia	Homo sapiens (Human)	CVCL_0006
In Vitro Model	MOLM-13	Adult acute myeloid leukemia	Homo sapiens (Human)	CVCL_2119
In Vivo Model	NOD/SCID mice (8 weeks) were injected with 5×10⁶ log-phase MOLM-13 cells subcutaneously in the right flank.
Result	We provide a new triple combination for AML treatment by targeting the Noxa/Mcl-1/Bim axis to reverse Mcl-1/p-Chk1 resistance of cytarabine therapy.