CU-CPT8m

Ligand id: 9795

Name: CU-CPT8m

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 73.28
Molecular weight 252.1
XLogP 1.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Synonyms
7-(m-Tolyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | compound 5 [PMID: 29155428]
Comments
CU-CPT8m is a small molecule functional Toll-like receptor 8 (TLR8) inhibitor [1]. Analysis reveals that the compound binds to a site between the two subunits of the TLR8 homodimer, in its resting state, and so prevents activation.
Database Links
GtoPdb PubChem SID 354702267
PubChem CID 15042086
RCSB PDB Ligand CU8
Search Google for chemical match using the InChIKey HNKGGVGQAVODNJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HNKGGVGQAVODNJ
Search UniChem for chemical match using the InChIKey HNKGGVGQAVODNJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HNKGGVGQAVODNJ