PRC

N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE

Created:	2000-09-13
Last modified:	2011-06-04

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1 entries where PRC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	25

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Chemical Component Summary
Name	N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide
Formula	C₂₂ H₁₈ N₆ O
Molecular Weight	382.418
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1cccnc1)Nc2cc(c(cc2)C)Nc3nc(ccn3)c4cccnc4
SMILES	CACTVS	3.341	Cc1ccc(NC(=O)c2cccnc2)cc1Nc3nccc(n3)c4cccnc4
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4
Canonical SMILES	CACTVS	3.341	Cc1ccc(NC(=O)c2cccnc2)cc1Nc3nccc(n3)c4cccnc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4
InChI	InChI	1.03	InChI=1S/C22H18N6O/c1-15-6-7-18(26-21(29)17-5-3-10-24-14-17)12-20(15)28-22-25-11-8-19(27-22)16-4-2-9-23-13-16/h2-14H,1H3,(H,26,29)(H,25,27,28)
InChIKey	InChI	1.03	YWQVBESSYLICRX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03878
Name	N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide
Groups	experimental
Synonyms	N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Tyrosine-protein kinase ABL1	MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNS...	unknown
Tyrosine-protein kinase transforming protein Abl	YITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSIS...	unknown

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