compound 25 [PMID: 18068976]

Ligand id: 8568

Name: compound 25 [PMID: 18068976]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 144.86
Molecular weight 523.24
XLogP 3.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2-hydroxycyclopentyl) 4-(hydroxycarbamoyl)-4-[[4-(2-methylphenyl)piperidin-1-yl]sulfonylmethyl]piperidine-1-carboxylate
Database Links
ChEMBL Ligand CHEMBL442432
GtoPdb PubChem SID 252166769
PubChem CID 44447430
Search Google for chemical match using the InChIKey JRYQAIVHIZIBOQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JRYQAIVHIZIBOQ
Search UniChem for chemical match using the InChIKey JRYQAIVHIZIBOQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JRYQAIVHIZIBOQ
Comments
Compound 25 is reported to selectively inhibit the activity of ADAM metallopeptidase domain 10 (ADAM10), relative to MMP1 and MMP2 [1].