fasidotrilat

Ligand id: 6502

Name: fasidotrilat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 123.66
Molecular weight 311.08
XLogP 1.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug fasidotril
IUPAC Name
(2S)-2-[[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid
Database Links
CAS Registry No. 135038-59-4 (source: PubChem)
ChEMBL Ligand CHEMBL325055
PubChem CID 6450805
Search Google for chemical match using the InChIKey TXSINLUUGRGAJO-WCBMZHEXSA-N
Search Google for chemicals with the same backbone TXSINLUUGRGAJO
Search UniChem for chemical match using the InChIKey TXSINLUUGRGAJO-WCBMZHEXSA-N
Search UniChem for chemicals with the same backbone TXSINLUUGRGAJO
Comments
Active drug formed from the metabolism of prodrug fasidotril. Fasidotrilat has not been assigned an INN itself.