InterPAD - DETAILS

B-Raf inhibitor 1, 1093100-40-3, Raf inhibitor 1, 1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine, CHEMBL1197798, N~1~-(4-Chlorophenyl)-6-Methyl-N~5~-[3-(7h-Purin-6-Yl)pyridin-2-Yl]isoquinoline-1,5-Diamine, N1-(4-chlorophenyl)-6-methyl-N5-[3-(9H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine, N1-(4-Chlorophenyl)-6-methyl-N5-[3-(9H-purin-6-yl)-2-pyridinyl]-1,5-isoquinolinediamine, N5-(3-(7H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine, N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine, L1E, 3idp, B-raf, B-Raf inhibitor1, SCHEMBL15215289, SCHEMBL18155155, BDBM35327, EX-A485, MDK0403, pyridylpurine aminoisoquinoline, 1, ABM-0403, BCP09276, BDBM50165861, AKOS026674009, AKOS032960273, NCGC00378697-03, AC-30299, AS-56843, HY-14177, J-690027, Q27462208, N1-(4-chlorophenyl)-6-methyl-N5-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine

No.	Title	Href
1	Synergistic activity of magnolin combined with B-RAF inhibitor SB590885 in hepatocellular carcinoma cells via targeting PI3K-AKT/mTOR and ERK MAPK pathway. Am J Transl Res. 2019 Jun 15;11(6):3816-3824.	`Click`

No.

Title

Href

Synergistic activity of magnolin combined with B-RAF inhibitor SB590885 in hepatocellular carcinoma cells via targeting PI3K-AKT/mTOR and ERK MAPK pathway. Am J Transl Res. 2019 Jun 15;11(6):3816-3824.

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Name	B-RAF Inhibitors
PubChem CID	44223999
Molecular Weight	478.9g/mol
Synonyms	B-Raf inhibitor 1, 1093100-40-3, Raf inhibitor 1, 1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine, CHEMBL1197798, N~1~-(4-Chlorophenyl)-6-Methyl-N~5~-[3-(7h-Purin-6-Yl)pyridin-2-Yl]isoquinoline-1,5-Diamine, N1-(4-chlorophenyl)-6-methyl-N5-[3-(9H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine, N1-(4-Chlorophenyl)-6-methyl-N5-[3-(9H-purin-6-yl)-2-pyridinyl]-1,5-isoquinolinediamine, N5-(3-(7H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine, N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine, L1E, 3idp, B-raf, B-Raf inhibitor1, SCHEMBL15215289, SCHEMBL18155155, BDBM35327, EX-A485, MDK0403, pyridylpurine aminoisoquinoline, 1, ABM-0403, BCP09276, BDBM50165861, AKOS026674009, AKOS032960273, NCGC00378697-03, AC-30299, AS-56843, HY-14177, J-690027, Q27462208, N1-(4-chlorophenyl)-6-methyl-N5-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
Drug Type	Small molecule
Formula	C₂₆H₁₉ClN₈
SMILES	CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=C(C=C3)Cl)NC4=C(C=CC=N4)C5=C6C(=NC=N5)N=CN6
InChI	1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)
InChIKey	KKVYYGGCHJGEFJ-UHFFFAOYSA-N
ChEMBL ID	CHEMBL1197798
Toxicity	Organism	Test Type	Route(Dose)
Structure			Download 2D MOL 3D MOL

Pair Name	Magnolin, B-RAF Inhibitors
Partner Name	Magnolin
Disease Info	[ICD-11: 2C12]	Hepatocellular carcinoma		Investigative
Biological Phenomena	Induction-->Blockade of cell cycle in G0/G1 phase
Gene Regulation	Down-regulation	Expression	AKT1	hsa207
	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BCL2	hsa596
	Up-regulation	Cleavage	CASP9	hsa842
	Down-regulation	Expression	CCND1	hsa595
	Up-regulation	Expression	CDKN1A	hsa1026
	Down-regulation	Phosphorylation	MAP2K7	hsa5609
	Down-regulation	Phosphorylation	MAPK1	hsa5594
	Down-regulation	Expression	MTOR	hsa2475
	Up-regulation	Cleavage	PARP1	hsa142
	Down-regulation	Expression	PIK3CA	hsa5290
	Up-regulation	Expression	PSMD9	hsa5715
	Down-regulation	Phosphorylation	RPS6	hsa6194
	Down-regulation	Phosphorylation	RPS6KB1	hsa6198
In Vitro Model	BEL-7402	Human papillomavirus-related cervical adenocarcinoma	Homo sapiens (Human)	CVCL_5492
In Vitro Model	SK-HEP-1	Liver and intrahepatic bile duct epithelial neoplasm	Homo sapiens (Human)	CVCL_0525
Result	Synergistic activity of magnolin combined with B-RAF inhibitor SB590885 in hepatocellular carcinoma cells via targeting PI3K-AKT/mTOR and ERK MAPK pathway