IK-862

Ligand id: 8680

Name: IK-862

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 91.76
Molecular weight 433.2
XLogP 4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
Synonyms
compound 32 [1] | IK862
Database Links
ChEMBL Ligand CHEMBL148169
PubChem CID 6914621
RCSB PDB Ligand 541
Search Google for chemical match using the InChIKey YDMIPBHQKFOFQW-NSYGIPOTSA-N
Search Google for chemicals with the same backbone YDMIPBHQKFOFQW
Search UniChem for chemical match using the InChIKey YDMIPBHQKFOFQW-NSYGIPOTSA-N
Search UniChem for chemicals with the same backbone YDMIPBHQKFOFQW
SynPHARM 82602 (in complex with ADAM17)
Comments
IK-862 selectively inhibits TACE (ADAM17), with the closest off-target being ADAM33 [1].