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
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.
Database Links
GtoPdb PubChem SID 310264732
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

Product suppliers

Tocris
NVS-CECR2-1
Cat. No. 5744