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CERALASERTIB | CERALASERTIB : Inhibitor of ATR
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
ATR
  • IC50:1 nM
  • IC50:76 nM
Inhibitor
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
AZD6738 was screened against a 71 kinase panel including related PI3K and protein PI3K-like kinases ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
Selectivity was assessed in cells against mTOR, PI3Kalpha, ATM, DNA-PK with IC50s >2 uM.

Potency
Cellular
In Vitro

ATR

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.8b01187

In Vivo Validations

Rat
Dose: 8.55 (IV), 20.3 (PO) μmol/kg
Route of delivery: Intravenous, Oral
Systemic clearance: 22 % LBF
Bioavailability: 67%
Volume of Distribution at Steady-State: 3.1 L/Kg

DOI Reference: 10.1021/acs.jmedchem.8b01187

Dog
Dose: 10.5 (IV), 15.1 (PO) μmol/kg
Route of delivery: Intravenous, Oral
Systemic clearance: 10 % LBF
Bioavailability: 100%
Volume of Distribution at Steady-State: 1 L/Kg

DOI Reference: 10.1021/acs.jmedchem.8b01187

Chemical Information

Molecular Formula C20H32N6O2S
SMILEs C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(C2CCNC3NCCC32)n1
InChI InChI=1S/C20H32N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h11,13-15,18,21-23H,3-10,12H2,1-2H3/t13-,14?,15?,18?,29-/m1/s1
Molecular weight 420.23 Da
AlogP 0.0
HBond acceptors 8
HBond donors 3
Atoms 61

References

Publications

Cross References

canSARChEMBL

Vendors

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Expert Reviews

by SERP
(on 5 Mar 2024 )
Cellular Use Rating
In Model Organisms
This late phase clinical asset is an excellent probe for investigating pharmacology for ATR inhibition. It's use alongside other probe compounds with differing chemotypes, such as camonsertib, can help...
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria