Ligand Id: 4672
Ligand name ochratoxin A

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 112.93
Molecular weight 403.08
XLogP 4.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Natural product or derivative
IUPAC Name
(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid
Database Links
Search on ChemSpider RWQKHEORZBHNRI-BMIGLBTASA-N
Wikipedia Ochratoxin_A
ZINC ZINC03861782

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org