RWJ-56423

Ligand id: 9333

Name: RWJ-56423

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 11
Topological polar surface area 189.74
Molecular weight 446.17
XLogP 0.52
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,4R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
Synonyms
(2S)-6 [1]
Database Links
ChEMBL Ligand CHEMBL256892
PubChem CID 5287596
RCSB PDB Ligand ABB
Search Google for chemical match using the InChIKey VXDAVYUFYPFGDX-SNPRPXQTSA-N
Search Google for chemicals with the same backbone VXDAVYUFYPFGDX
Search UniChem for chemical match using the InChIKey VXDAVYUFYPFGDX-SNPRPXQTSA-N
Search UniChem for chemicals with the same backbone VXDAVYUFYPFGDX
Comments
RWJ-56423 is an inhibitor of human mast cell tryptase (TPSAB1) [1]. Such compounds have therapeutic potential for treating allergic or inflammatory disorders.