compound 3 [PMID: 17942791]

Ligand id: 8556

Name: compound 3 [PMID: 17942791]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 82.45
Molecular weight 370.13
XLogP 5.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid
Database Links
ChEMBL Ligand CHEMBL1979298
GtoPdb PubChem SID 252166757
PubChem CID 219564
Search Google for chemical match using the InChIKey PSCFZETTYRDCRM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PSCFZETTYRDCRM
Search UniChem for chemical match using the InChIKey PSCFZETTYRDCRM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PSCFZETTYRDCRM
Comments
Compound 3 is reported as a small molecule inhibitor of Ras converting CAAX endopeptidase 1 (RCE1) [1].