NU-7441

Ligand id: 8010

Name: NU-7441

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 67.01
Molecular weight 413.11
XLogP 5.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one
Synonyms
KU-57788 | NU7441
Database Links
CAS Registry No. 503468-95-9
ChEMBL Ligand CHEMBL188678
PubChem CID 11327430
RCSB PDB Ligand 2R4
Search Google for chemical match using the InChIKey JAMULYFATHSZJM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JAMULYFATHSZJM
Search UniChem for chemical match using the InChIKey JAMULYFATHSZJM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JAMULYFATHSZJM
Comments
NU-7441 is a potent and selective, ATP-competitive inhibitor of DNA-dependent protein kinase (DNA-PK) [2]. It is compound 22g in Leahy et al. (2004) [2].