lonafarnib

Ligand id: 8024

Name: lonafarnib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 79.53
Molecular weight 636.05
XLogP 4.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
International Nonproprietary Names
INN number INN
8191 lonafarnib
Synonyms
SCH 66336 | SCH-66336 | SCH66336
Database Links
CAS Registry No. 193275-84-2
ChEMBL Ligand CHEMBL298734
PubChem CID 148195
RCSB PDB Ligand 336
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Search UniChem for chemical match using the InChIKey DHMTURDWPRKSOA-RUZDIDTESA-N
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Wikipedia Lonafarnib
Comments
Lonafarnib is an orally bioavailable molecule which inhibits the farnesyl protein transferase responsible for catalysing the transfer of a 15-carbon isoprenoid group to a variety of cellular proteins including RAS [5].