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Compound Detail

CHEMBL5208686

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O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5208686
Phase Preclinical
Structure Type MOL
InChI Key YMADNUCXSKBZJT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.8
MW (Da)
4.75
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12ClF3N4O2
MW 408.77
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.89

Activity Summary

IC50 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 1.3 nM 8.89 Inhibition of VEGFR2 (unknown origin) using ULight-4E-BP1 peptide as substrate i... 33129590

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