General
Preferred name
(S)-crizotinib
Synonyms
ent-crizotinib ()
(S)-crizotinib ()
S-crizotinib ()
P&D ID
PD016397
CAS
1374356-45-2
Tags
available
obsolete probe
Probe control
Probe control not defined
Orthogonal probes
0
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
Inhibition of MTH1 (gene symbol NUDT1) by (S)-crizotinib has revealed small molecule MTH1 inhibitors as a promising new class of anticancer compounds.
DESCRIPTION
Inhibition of MTH1 (gene symbol NUDT1) by (S)-crizotinib has revealed small molecule MTH1 inhibitors as a promising new class of anticancer compounds.
(GtoPdb)
DESCRIPTION
(S)-Crizotinib is a potent and selective MTH1 (mutT homologue) inhibitor with an IC50 of 330 nM. (S)-Crizotinib disrupts nucleotide pool homeostasis via MTH1 inhibition, induces an increase in DNA single strand breaks, activates DNA repair in human colon carcinoma cells, and effectively suppresses tumour growth in animal models[1].
PRICE
71
DESCRIPTION
(S)-crizotinib (ent-crizotinib) ??IC50 of 72 nM??, an effective MTH1 (NUDT1) inhibitor, is the (S)-enantiomer of crizotinib.
DESCRIPTION
Potent group I PAK inhibitor
(Tocris Bioactive Compound Library)
DESCRIPTION
(S)-crizotinib disrupts nucleotide pool homeostasis via MTH1 inhibition, induces an increase in DNA single-strand breaks, and activates DNA repair in human colon carcinoma cells.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
(S)-Crizotinib is a potent and selective MTH1 (mutT homologue) inhibitor with Kd=0.039 nM.
(Enamine Bioactive Compounds)
DESCRIPTION
(S)-crizotinib (ent-crizotinib) （IC50 of 72 nM）, an effective MTH1 (NUDT1) inhibitor, is the (S)-enantiomer of crizotinib.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
0
Compound Sets
13
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
Enamine Bioactive Compounds
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Obsolete Compounds
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Molecular Weight
449.12
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
3
cLogP
5.04
TPSA
77.99
Fraction CSP3
0.33
Chiral centers
1.0
Largest ring
6.0
QED
0.53
Structural alerts
3
aggregator (Aggregator Advisor)
Aggregators
historic compounds (Chemical Probes.org)
Obsolete
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Cell Cycle/DNA Damage
Primary Target
MTH1
MOA
Inhibitor
NUDT1 gene inhibitor
ALK gene inhibitor,ROS1 gene inhibitor, MET gene inhibitor, NUDT1 gene inhibitor
MTH1 inhibitor
Member status
member
Target
NUDT1
MTH1,NUDIX
DNA/RNA Synthesis
Source data
