InterPAD - DETAILS

Icotinib, 610798-31-7, Conmana, BPI-2009, N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine, CHEMBL2087361, BPI2009, 9G6U5L461Q, N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine, (1,4,7,10)Tetraoxacyclododecino(2,3-g)quinazolin-4-amine, N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-, N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazolin-4-amine, Lcotinib, UNII-9G6U5L461Q, C22H21N3O4, icotinib,BPI-2009H, ICOTINIB [WHO-DD], GTPL7641, SCHEMBL5843603, DTXSID20209952, EX-A306, QQLKULDARVNMAL-UHFFFAOYSA-N, GLXC-10562, HMS3651F12, 4-((3-ethynylphenyl)amino)-6,7-benzo-12-crown-4-quinazoline, BCP21716, BPI 2009, BDBM50391089, HY-15164A, MFCD22124501, NSC800770, s2922, AKOS030231301, CCG-264757, DB11737, NSC-800770, SB16602, NCGC00386224-06, AC-32044, AS-55948, DA-33567, 5108B, FT-0701617, NS00072579, SW219698-1, D11251, A868809, Q16868421, (3-Ethynyl-phenyl)(7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-1,3-diazacyclododeca[b]naphthalen-4-yl)-amine, (3-ethynyl-phenyl)-(7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-1,3-diazacyclododeca[b]naphthalen-4-yl)-amine, N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.0^{14,19]icosa-1(12),13,15,17,19-pentaen-18-amine

No.	Title	Href
1	Bisdemethoxycurcumin Enhances the Sensitivity of Non-small Cell Lung Cancer Cells to Icotinib via Dual Induction of Autophagy and Apoptosis. Int J Biol Sci. 2020 Mar 5;16(9):1536-1550. doi: 10.7150/ijbs.40042.	`Click`

No.

Title

Href

Bisdemethoxycurcumin Enhances the Sensitivity of Non-small Cell Lung Cancer Cells to Icotinib via Dual Induction of Autophagy and Apoptosis. Int J Biol Sci. 2020 Mar 5;16(9):1536-1550. doi: 10.7150/ijbs.40042.

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Name	Icotinib
PubChem CID	22024915
Molecular Weight	391.4g/mol
Synonyms	Icotinib, 610798-31-7, Conmana, BPI-2009, N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine, CHEMBL2087361, BPI2009, 9G6U5L461Q, N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine, (1,4,7,10)Tetraoxacyclododecino(2,3-g)quinazolin-4-amine, N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-, N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazolin-4-amine, Lcotinib, UNII-9G6U5L461Q, C22H21N3O4, icotinib,BPI-2009H, ICOTINIB [WHO-DD], GTPL7641, SCHEMBL5843603, DTXSID20209952, EX-A306, QQLKULDARVNMAL-UHFFFAOYSA-N, GLXC-10562, HMS3651F12, 4-((3-ethynylphenyl)amino)-6,7-benzo-12-crown-4-quinazoline, BCP21716, BPI 2009, BDBM50391089, HY-15164A, MFCD22124501, NSC800770, s2922, AKOS030231301, CCG-264757, DB11737, NSC-800770, SB16602, NCGC00386224-06, AC-32044, AS-55948, DA-33567, 5108B, FT-0701617, NS00072579, SW219698-1, D11251, A868809, Q16868421, (3-Ethynyl-phenyl)(7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-1,3-diazacyclododeca[b]naphthalen-4-yl)-amine, (3-ethynyl-phenyl)-(7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-1,3-diazacyclododeca[b]naphthalen-4-yl)-amine, N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.0^{14,19]icosa-1(12),13,15,17,19-pentaen-18-amine
Drug Type	Small molecule
Formula	C₂₂H₂₁N₃O₄
SMILES	C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4
InChI	1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
InChIKey	QQLKULDARVNMAL-UHFFFAOYSA-N
CAS Number	610798-31-7
ChEMBL ID	CHEMBL2087361
TTD ID	D06WRJ
Drug Bank ID	DB11737
KEGG ID	D11251
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	Bisdemethoxycucurmin, Icotinib
Partner Name	Bisdemethoxycucurmin
Disease Info	[ICD-11: 2C25.Z]	Lung cancer		Investigative
Biological Phenomena	Induction-->Apoptosis and autophagy
Gene Regulation	Down-regulation	Phosphorylation	EGFR	hsa1956
	Down-regulation	Phosphorylation	AKT1	hsa207
	Down-regulation	Phosphorylation	MAPK8	hsa5599
	Down-regulation	Expression	ERBB2	hsa2064
	Down-regulation	Expression	MET	hsa4233
	Down-regulation	Expression	BIRC5	hsa332
	Down-regulation	Expression	HDAC1	hsa3065
	Down-regulation	Expression	HDAC2	hsa3066
	Up-regulation	Expression	VDAC1	hsa7416
	Down-regulation	Expression	VDAC2	hsa7417
	Down-regulation	Expression	HK1	hsa3098
	Up-regulation	Expression	GSK3B	hsa2932
	Up-regulation	Expression	CYCS	hsa54205
	Down-regulation	Expression	MAP1LC3A	hsa84557
	Up-regulation	Expression	MAP1LC3B	hsa81631
	Down-regulation	Expression	SQSTM1	hsa8878
	Up-regulation	Expression	BECN1	hsa8678
	Up-regulation	Cleavage	CASP7	hsa840
	Up-regulation	Cleavage	PARP1	hsa142
	Up-regulation	Phosphorylation	ATM	hsa472
	Up-regulation	Phosphorylation	CHEK1	hsa1111
	Up-regulation	Phosphorylation	TRIM28	hsa10155
	Up-regulation	Expression	H2AX	hsa3014
	Up-regulation	Expression	CDH1	hsa999
	Up-regulation	Expression	JUND	hsa3727
	Up-regulation	Expression	DNAJB4	hsa11080
	Down-regulation	Expression	MMP2	hsa4313
	Down-regulation	Expression	MMP9	hsa4318
	Down-regulation	Expression	VEGFA	hsa7422
In Vitro Model	NCI-H460	Lung large cell carcinoma	Homo sapiens (Human)	CVCL_0459
In Vitro Model	NCI-H1781	Minimally invasive lung adenocarcinoma	Homo sapiens (Human)	CVCL_1494
Result	Our data indicate that BMDC has the potential to improve the treatment of primary EGFR-TKI resistant NISCLC that cannot be controlled with single-target agent, such as icotinib.