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Compound Detail

CHEMBL5177149

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COc1ccc(Nc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)nn1

Basic Information

ChEMBL ID CHEMBL5177149
Phase Preclinical
Structure Type MOL
InChI Key ACWRURAYMKLZIZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.8
MW (Da)
5.55
ALogP
5
HBA
3
HBD
88.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClF3N5O2
MW 437.81
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33129590 10.1016/j.ejmech.2020.112946 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine