lonafarnib   Click here for help

GtoPdb Ligand ID: 8024

Synonyms: SCH 66336 | SCH-66336 | SCH66336
PDB Ligand
Compound class: Synthetic organic
Comment: 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].
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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
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
Database Links Click here for help
CAS Registry No. 193275-84-2
ChEMBL Ligand CHEMBL298734
GtoPdb PubChem SID 249565704
PubChem CID 148195
RCSB PDB Ligand 336
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Wikipedia Lonafarnib

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Cat. No. 6265