tanomastat

Ligand id: 6468

Name: tanomastat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 79.67
Molecular weight 410.07
XLogP 7.54
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
International Nonproprietary Names
INN number INN
8007 tanomastat
Synonyms
BAY 12-9566 | BAY-12-9566 | BAY-129566
Database Links
CAS Registry No. 179545-77-8 (source: PubChem)
ChEMBL Ligand CHEMBL261932
PubChem CID 6918336
Search Google for chemical match using the InChIKey JXAGDPXECXQWBC-LJQANCHMSA-N
Search Google for chemicals with the same backbone JXAGDPXECXQWBC
Search PubMed clinical trials tanomastat
Search PubMed titles tanomastat
Search PubMed titles/abstracts tanomastat
Search UniChem for chemical match using the InChIKey JXAGDPXECXQWBC-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone JXAGDPXECXQWBC
Wikipedia Tanomastat (source: only a stub)
Comments
This compound failed testing in Phase 3 clinical trials.