BERZOSERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L423PRV3V3

Structure
InChI Key JZCWLJDSIRUGIN-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Serine-protein kinase ATR inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 4800 - - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 0.17-74 - 0.008-0.2 -
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
- - - 140 -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - - 15 -
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 Transferase
- - - 140 95.05-124.45
Enzyme
- 0.17-74 - 0.008-0.2 95.05-124.45
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -15.5-3.71
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 3000 - - -
Unclassified protein
- 0.2 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ovarian Neoplasms 2 D010051 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Leiomyosarcoma 2 D007890 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Triple Negative Breast Neoplasms 1 D064726 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Uterine Cervical Neoplasms 1 D002583 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 1 D000077195 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 1 D000077195 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 1 D000077195 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials

Related Entries

Scaffolds

Cross References

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