compound 1 [PMID: 21882820]

Ligand id: 8831

Name: compound 1 [PMID: 21882820]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 90.84
Molecular weight 317.93
XLogP 4.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carboxylic acid
Database Links
ChEMBL Ligand CHEMBL1403981
PubChem CID 2765033
RCSB PDB Ligand NXY
Search Google for chemical match using the InChIKey UCHDVTOVFHVWOS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UCHDVTOVFHVWOS
Search UniChem for chemical match using the InChIKey UCHDVTOVFHVWOS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UCHDVTOVFHVWOS
SynPHARM 82872 (in complex with RTP Type G)
Comments
Compound 1 is reported to inhibit receptor protein tyrosine phosphatase γ (RPTPγ; PTPRG) [1].