7KC

PF-3758309

Created:	2016-11-04
Last modified:	2019-01-16

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4 entries where 7KC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	1
Bond Count	69
Aromatic Bond Count	21

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Chemical Component Summary
Name	PF-3758309
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
Formula	C₂₅ H₃₀ N₈ O S
Molecular Weight	490.624
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)C[CH](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.6	Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)NC(CN(C)C)c5ccccc5)(C)C
Canonical SMILES	CACTVS	3.385	CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C
InChI	InChI	1.03	InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
InChIKey	InChI	1.03	AYCPARAPKDAOEN-LJQANCHMSA-N

Drug Info: DrugBank

DrugBank ID	DB11775
Name	PF-03758309
Groups	investigational
Description	PF-03758309 has been used in trials studying the treatment of Advanced Solid Tumors.
Synonyms	PF-03758309 Pf 03758309 Hydrochloride
Categories	p21-Activated Kinases, antagonists & inhibitors
CAS number	898044-15-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Serine/threonine-protein kinase PAK 4	MFGKRKKRVEISAPSNFEHRVHTGFDQHEQKFTGLPRQWQSLIEESARRP...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682