NVS-1

Ligand id: 8951

Name: NVS-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 97.29
Molecular weight 495.27
XLogP 5.1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-cyclopropyl-2-(propane-1-sulfonyl)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-indol-5-yl]pyrimidin-4-amine
Synonyms
NVS-CECR2-1
Database Links
PubChem CID 117072550
Search Google for chemical match using the InChIKey XVECNLUKQDKOST-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XVECNLUKQDKOST
Search UniChem for chemical match using the InChIKey XVECNLUKQDKOST-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XVECNLUKQDKOST
Comments
NVS-1 is a small-molecule selective inhibitor of the bromodomain-containing protein cat eye syndrome chromosome region, candidate 2 (CECR2) [1]. NVS-1 is one of the compounds available from the Structural Genomics Consortium's epigenetic probes set. It was developed in collaboration with Novartis.