pradigastat

Ligand id: 7830

Name: pradigastat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 75.11
Molecular weight 455.18
XLogP 8.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-{4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl}acetic acid
International Nonproprietary Names
INN number INN
9544 pradigastat
Synonyms
LCQ-908 | LCQ908
Database Links
CAS Registry No. 956136-95-1
ChEMBL Ligand CHEMBL2364624
PubChem CID 53387035
Search Google for chemical match using the InChIKey GXALXAKNHIROPE-QAQDUYKDSA-N
Search Google for chemicals with the same backbone GXALXAKNHIROPE
Search PubMed clinical trials pradigastat
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Search UniChem for chemical match using the InChIKey GXALXAKNHIROPE-QAQDUYKDSA-N
Search UniChem for chemicals with the same backbone GXALXAKNHIROPE
Comments
Pradigastat is a potent and selective inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1).
The PubChem CID 53387035 shows the molecule with no stereochemistry.