ML354

Ligand id: 9459

Name: ML354

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 68.3
Molecular weight 282.1
XLogP 4.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
Synonyms
VU0099704
Database Links
ChEMBL Ligand CHEMBL1609104
PubChem CID 752812
Search Google for chemical match using the InChIKey GNJUKVGDCUKDLF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GNJUKVGDCUKDLF
Search UniChem for chemical match using the InChIKey GNJUKVGDCUKDLF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GNJUKVGDCUKDLF
Comments
ML354 is a PAR4 receptor antagonist [1].