tipifarnib   

GtoPdb Ligand ID: 8025

Synonyms: R-115777 | R115777
Compound class: Synthetic organic
Comment: Tipifarnib is a non-peptidomimetic competitive farnesyltransferase inhibitor (FTI) [4].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 65.84
Molecular weight 488.12
XLogP 6.97
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc(cc1)C(c1cncn1C)(c1ccc2c(c1)c(cc(=O)n2C)c1cccc(c1)Cl)N
Isomeric SMILES Clc1ccc(cc1)[C@](c1cncn1C)(c1ccc2c(c1)c(cc(=O)n2C)c1cccc(c1)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
InChI Key PLHJCIYEEKOWNM-HHHXNRCGSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
International Nonproprietary Names
INN number INN
8066 tipifarnib
Synonyms
R-115777 | R115777
Database Links
CAS Registry No. 192185-72-1
ChEMBL Ligand CHEMBL289228
GtoPdb PubChem SID 249565705
PubChem CID 159324
RCSB PDB Ligand JAN
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Search UniChem for chemical match using the InChIKey PLHJCIYEEKOWNM-HHHXNRCGSA-N
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SynPHARM 81018 (in complex with farnesyltransferase, CAAX box, beta)
Wikipedia Tipifarnib

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Tipifarnib
Cat. No. 6410