compound 30 [PMID: 16455256]

Ligand id: 8813

Name: compound 30 [PMID: 16455256]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 122.29
Molecular weight 492.18
XLogP 2.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-methyl-1-(2-methylpropyl)-6-(quinolin-4-ylmethyl)thieno[3,2-e]pyrimidine-2,4-dione
Database Links
ChEMBL Ligand CHEMBL205742
PubChem CID 5282545
Search Google for chemical match using the InChIKey JOFQERPJMGKMMX-QGZVFWFLSA-N
Search Google for chemicals with the same backbone JOFQERPJMGKMMX
Search UniChem for chemical match using the InChIKey JOFQERPJMGKMMX-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone JOFQERPJMGKMMX
Comments
Compound 30 is an inhibitor of the monocarboxylate transporter MCT1 (SLC16A1) with favourable drug-like properties and in vitro antiinflammatory activity [1].