peposertib

Ligand id: 9766

Name: peposertib

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 93.49
Molecular weight 481.13
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(S)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
International Nonproprietary Names
INN number INN
10777 peposertib
Synonyms
example 136 [WO2014183850] | M3814 | MSC2490484A | nedisertib (deleted INN)
Comments
Peposertib (M-3814) is an orally available inhibitor of DNA-dependent protein kinase (DNA-PK), that is being investiated for potential antineoplastic activity [3]. Experimental evidence indicates that M-3814 potentiates the effect of radiotherapy in several xenotransplanted human tumour types [1], an effect that is being evaluated in human cancer patients in a clinical trial. The compound is claimed as example 136 in patent WO2014183850 [2].
Database Links
CAS Registry No. 1637542-33-6 (source: WHO INN record)
GtoPdb PubChem SID 354702239
PubChem CID 86292849
Search Google for chemical match using the InChIKey MOWXJLUYGFNTAL-DEOSSOPVSA-N
Search Google for chemicals with the same backbone MOWXJLUYGFNTAL
Search PubMed clinical trials peposertib
Search PubMed titles peposertib
Search PubMed titles/abstracts peposertib
Search UniChem for chemical match using the InChIKey MOWXJLUYGFNTAL-DEOSSOPVSA-N
Search UniChem for chemicals with the same backbone MOWXJLUYGFNTAL