thiorphan

Ligand id: 5278

Name: thiorphan

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 105.2
Molecular weight 253.08
XLogP 3.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(2S)-2-benzyl-3-sulfanylpropanamido]acetic acid
Database Links
CAS Registry No. 76721-89-6
ChEMBL Ligand CHEMBL298827
DrugBank Ligand DB08626
PubChem CID 4369380
RCSB PDB Ligand TIO
Search Google for chemical match using the InChIKey LJJKNPQAGWVLDQ-SNVBAGLBSA-N
Search Google for chemicals with the same backbone LJJKNPQAGWVLDQ
Search UniChem for chemical match using the InChIKey LJJKNPQAGWVLDQ-SNVBAGLBSA-N
Search UniChem for chemicals with the same backbone LJJKNPQAGWVLDQ
Wikipedia Thiorphan
Comments
The active metabolite of anti-diarrheal drug racecadotril