lonafarnib   Click here for help

GtoPdb Ligand ID: 8024

Synonyms: SCH 66336 | SCH-66336 | SCH66336 | Zokinvy®
Approved drug PDB Ligand
lonafarnib is an approved drug (FDA (2020), ENA (2022))
Compound class: Synthetic organic
Comment: Lonafarnib is an orally bioavailable molecule which inhibits farnesyl protein transferase, an enzyme that is responsible for catalysing the transfer of a 15-carbon isoprenoid group to a variety of cellular proteins including RAS [7].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 79.53
Molecular weight 636.05
XLogP 4.45
No. Lipinski's rules broken 0
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Canonical SMILES Clc1cc(Br)c2c(c1)CCc1c(C2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br
Isomeric SMILES Clc1cc(Br)c2c(c1)CCc1c([C@@H]2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br
InChI InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2020), ENA (2022))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8191 lonafarnib
Synonyms Click here for help
SCH 66336 | SCH-66336 | SCH66336 | Zokinvy®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9653475
Reactome Reaction Reactome logo R-HSA-9647987
Other databases
CAS Registry No. 193275-84-2
ChEMBL Ligand CHEMBL298734
DrugCentral Ligand 5414
GtoPdb PubChem SID 249565704
PubChem CID 148195
RCSB PDB Ligand 336
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Lonafarnib (links to external site)
Cat. No. 6265