GB88

Ligand id: 6658

Name: GB88

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 104.54
Molecular weight 546.32
XLogP 8.07
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Synonyms
GB 88 | GB-88
Database Links
CAS Registry No. 1416435-96-5 (source: PubChem)
ChEMBL Ligand CHEMBL2431617
PubChem CID 57330164
Search Google for chemical match using the InChIKey DCUDDCGUKZLQLN-ZEZZXZOMSA-N
Search Google for chemicals with the same backbone DCUDDCGUKZLQLN
Search UniChem for chemical match using the InChIKey DCUDDCGUKZLQLN-ZEZZXZOMSA-N
Search UniChem for chemicals with the same backbone DCUDDCGUKZLQLN
Comments
GB88 inhibited the proinflammatory and pronociceptive actions of trypsin, cathepsin-S and elastase, consistent with the observation that Par2 deletion inhibits trypsin-, cathepsin-S- and elastase-induced inflammation and nociception [1].