JAN

6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE

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is present as a standalone ligand in 4 entries

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Chemical Component Summary
Name	6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE
Synonyms	R115777; TIPIFARNIB
Identifiers	6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-quinolin-2-one
Formula	C₂₇ H₂₂ Cl₂ N₄ O
Molecular Weight	489.396
Type	NON-POLYMER
Isomeric SMILES	Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N
InChI	InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1
InChIKey	PLHJCIYEEKOWNM-HHHXNRCGSA-N

Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	1
Bond Count	60
Aromatic Bond Count	29

Drug Info: DrugBank

DrugBank ID	DB04960 ?
Name	Tipifarnib
Groups	investigational
Description	Tipifarnib (R-115777) is a substance that is being studied in the treatment of acute myeloid leukemia (AML) and other types of cancer. It belongs to the family of drugs called farnesyltransferase inhibitors. It is also called Zarnestra. In June 2005, the FDA issued a Not Approvable Letter for Zarnestra.
Synonyms	Zarnestra Tipifarnib
Indication	Investigated for use/treatment in colorectal cancer, leukemia (myeloid), pancreatic cancer, and solid tumors.
Categories	Antineoplastic Agents Heterocyclic Compounds, Fused-Ring P-glycoprotein inhibitors Quinolines
CAS number	192185-72-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Protein farnesyltransferase subunit beta	MASPSSFTYYCPPSSSPVWSEPLYSLRPEHARERLQDDSVETVTSIEQAK...	unknown
P-glycoprotein 1	MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...	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