QOA

N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide

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Chemical Component Summary
Name	N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide
Synonyms	Pimasertib
Identifiers	~{N}-[(2~{S})-2,3-bis(oxidanyl)propyl]-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]pyridine-4-carboxamide
Formula	C₁₅ H₁₅ F I N₃ O₃
Molecular Weight	431.201
Type	NON-POLYMER
Isomeric SMILES	c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O
InChI	InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
InChIKey	VIUAUNHCRHHYNE-JTQLQIEISA-N

Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	12

Drug Info: DrugBank

DrugBank ID	DB14904
Name	Pimasertib
Groups	investigational
Description	Pimasertib is under investigation in clinical trial NCT01378377 (Combination Trial of Pimasertib (MSC1936369B) With Temsirolimus).
Synonyms	Pimasertib N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide Pimasertib hydrochloride
Categories	Nicotinic Acids Protein Kinase Inhibitors Pyridines
CAS number	1236699-92-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Mitogen-activated protein kinase kinase (MAPKK)	MPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLEELELDEQQRKRL...	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