Ligand Id: 1397
Ligand name MGS0039

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 109.85
Molecular weight 377.02
XLogP -1.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Synonyms
(1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Database Links
BindingDB Ligand 50151435
ChEBI CHEBI:412818
ChEMBL Ligand 412818, 412819, 407471
PubChem CID 9886034
Search on ChemSpider LFAGGDAZZKUVKO-JAGWWQSPSA-N
ZINC ZINC03817238

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