General
Preferred name
Nedisertib
Synonyms
M3814 ()
peposertib ()
MSC2490484A ()
M-3814 ()
MSC 2490484A ()
MSC-2490484A ()
P&D ID
PD076579
CAS
1637542-33-6
Tags
available
probe
drug candidate
Drug indication
Locally advanced rectal cancer
Neoplasm
Solid tumour/cancer
Drug Status
investigational
Max Phase
1.0
Probe info
Probe type
experimental probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
2
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Nedisertib (M3814) is a potent, orally available and selective inhibitor of DNA-PK, with an IC50 of <3 nM. Anti-tumor activity[1][2][3].
DESCRIPTION
Peposertib (M-3814) is an orally available inhibitor of DNA-dependent protein kinase (DNA-PK), that is being investiated for potential antineoplastic activity . Experimental evidence indicates that M-3814 potentiates the effect of radiotherapy in several xenotransplanted human tumour types , an effect that is being evaluated in human cancer patients in a clinical trial. The compound is claimed as example 136 in patent WO2014183850 .
(GtoPdb)
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
Nedisertib (M3814) is a specific inhibitor of DNA-dependent protein kinase (DNA-PK) with IC50 value less than 3 nM.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
12
AdooQ Bioactive Compound Library
ChEMBL Drugs
Chemical Probes.org
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
High-quality chemical probes
MedChem Express Bioactive Compound Library
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Molecular Weight
481.13
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
5
Aromatic Ring Count
4
cLogP
3.81
TPSA
93.49
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
DNA-PK
PRKDC
BCRP
MOA
DNA dependent protein kinase inhibitor
Pathway
Cell Cycle/DNA Damage
Membrane Transporter/Ion Channel
PI3K/Akt/mTOR
DNA Damage/DNA Repair
PI3K/Akt/mTOR signaling
Target class
Kinase
Target subclass
PI3/PI4
Source data
