A1120

Ligand id: 8792

Name: A1120

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 69.64
Molecular weight 392.13
XLogP 6.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid
Synonyms
A 1120
compound 33 [PMID: 24835984]
Database Links
CAS Registry No. 1152782-19-8 (source: PubChem)
ChEMBL Ligand CHEMBL1230001
PubChem CID 25138295
RCSB PDB Ligand 2T1
Search Google for chemical match using the InChIKey MEAQCLPMSVEOQF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MEAQCLPMSVEOQF
Comments
A1120 is reported as a potent non-retinoid inhibitor of plasma retinol-binding protein RBP4 [1].