KU-0060648

Ligand id: 8011

Name: KU-0060648

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 102.59
Molecular weight 582.23
XLogP 4.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(4-ethylpiperazin-1-yl)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
Synonyms
KU 0060648
Database Links
ChEMBL Ligand CHEMBL1086377
PubChem CID 11964036
Search Google for chemical match using the InChIKey AATCBLYHOUOCTO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AATCBLYHOUOCTO
Search UniChem for chemical match using the InChIKey AATCBLYHOUOCTO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AATCBLYHOUOCTO
Comments
KU-0060648 is a dual inhibitor of DNA dependent protein kinase (DNA-PK) and the phosphatidylinositol-4,5-bisphosphate 3-kinase (PI3K) α, β and δ subunits. This compound is an analogue of NU-7441 with improved solubility and potency, and additional activity against PI3Ks [1]. This is compound 39 in Cano et al. (2013) [1].