BERZOSERTIB

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Synonyms
Status
Molecule Category Free-form
UNII L423PRV3V3

Structure

InChI Key JZCWLJDSIRUGIN-UHFFFAOYSA-N
Smiles CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1
InChI
InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H25N5O3S
Molecular Weight 463.56
AlogP 3.95
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 124.0
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Serine-protein kinase ATR inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 15-19 - 0.165-44 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk2 subfamily
- - - 26 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - - 33-140 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - - 59 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - - 30 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - - 150 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - - 150 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - - 18-130 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
- - - 190 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- - - 8 -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - - 15 -
Enzyme Transferase
- - - 140 -
Enzyme
- 15-19 - 18-130 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 15-19 - 0.165-190 -

Target Conservation

Protein: Serine-protein kinase ATR
Description: Serine/threonine-protein kinase ATR
Organism : Homo sapiens
Q13535 ENSG00000175054

Cross References

Resources Reference
ChEBI 131166
ChEMBL CHEMBL3989870
DrugBank DB11794
FDA SRS L423PRV3V3
Guide to Pharmacology 8003
PubChem 59472121
SureChEMBL SCHEMBL3061890
ZINC ZINC000096170459
CONTENTS