LB42908   Click here for help

GtoPdb Ligand ID: 8028

Synonyms: LB 42908
Compound class: Synthetic organic
Comment: The discovery of LB42908 is described in [2], where it is compound 2. LB42908 is a highly potent, selective, and non-peptidic farnesyltransferase inhibitor (FTI). LB42908 does not appear to have progressed beyond preclinical investigation.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 64.76
Molecular weight 535.26
XLogP 3.59
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)C(=O)c1cn(cc1c1cccc2c1cccc2)Cc1cncn1CC1=CC2C(C=C1)OCO2
Isomeric SMILES CN1CCN(CC1)C(=O)c1cn(cc1c1cccc2c1cccc2)Cc1cncn1CC1=CC2C(C=C1)OCO2
InChI InChI=1S/C32H33N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21,30-31H,11-14,17-18,22H2,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
LB 42908
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9656772
Reactome Reaction Reactome logo R-HSA-9647987
Other databases
CAS Registry No. 226927-89-5 (source: Scifinder)
GtoPdb PubChem SID 249565708
PubChem CID 91623355
Search Google for chemical match using the InChIKey VZWZHIJGBPHRDI-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey VZWZHIJGBPHRDI-UHFFFAOYSA-N
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