General
Preferred name
(S)-crizotinib
Synonyms
ent-crizotinib ()
S-crizotinib ()
(S)-crizotinib ()
P&D ID
PD016397
CAS
1374356-45-2
Tags
obsolete probe
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.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. (GtoPdb)
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 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)
Cell lines
5
Organisms
0
Compound Sets
11
Axon Medchem Screening Library
2296
BOC Sciences Bioactive Compounds
s-crizotinib-cas-1374356-45-2-item-84-463405
Cayman Chemical Bioactives
31114
Drug Repurposing Hub
Guide to Pharmacology
7581
MedChem Express Bioactive Compound Library
HY-100549
Novartis Chemogenetic Library (NIBR MoA Box)
Obsolete Compounds
s-crizotinib
Selleckchem Bioactive Compound Library
s-crizotinib
TargetMol Bioactive Compound Library
T6357
Tocris Bioactive Compound Library
6025
External IDs
16
Properties
(calculated by RDKit )
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
DNA Damage/DNA Repair
Apoptosis
Cell Cycle/DNA Damage
Target
MTH1
NUDT1
DNA/RNA Synthesis
MTH1,NUDIX
MOA
Inhibitor
NUDT1 gene inhibitor
ALK gene inhibitor,ROS1 gene inhibitor, MET gene inhibitor, NUDT1 gene inhibitor
MTH1 inhibitor
Member status
member
Source data