compound 12c [PMID: 16516466]

Ligand id: 8663

Name: compound 12c [PMID: 16516466]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 112.58
Molecular weight 448.21
XLogP 3.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
Database Links
ChEMBL Ligand CHEMBL208009
PubChem CID 10160968
Search Google for chemical match using the InChIKey BODLESUVCQEUII-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BODLESUVCQEUII
Search UniChem for chemical match using the InChIKey BODLESUVCQEUII-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BODLESUVCQEUII
Comments
Compound 12c is reported in a study to find small molecule inhibitors of ADAM17 (TNF α-converting enzyme, or TACE) [1].