LB42908

Ligand id: 8028

Name: LB42908

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 64.76
Molecular weight 535.26
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(1-{[1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine
Synonyms
LB 42908
Database Links
CAS Registry No. 226927-89-5 (source: Scifinder)
PubChem CID 91623355
Search Google for chemical match using the InChIKey VZWZHIJGBPHRDI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VZWZHIJGBPHRDI
Search UniChem for chemical match using the InChIKey VZWZHIJGBPHRDI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VZWZHIJGBPHRDI
Comments
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.