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Compound Detail

CHEMBL5633554

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COc1cc2ncnc(Nc3ccsc3C(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL5633554
Phase Preclinical
Structure Type MOL
InChI Key WNSLCYTWPQLIRB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.9
MW (Da)
5.50
ALogP
7
HBA
2
HBD
85.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClFN4O3S
MW 458.90
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.92

Activity Summary

IC50 2 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.06 7.06 87.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37453330 10.1016/j.ejmech.2023.115626 Vascular endothelial growth factor receptor 2 1
37453330 10.1016/j.ejmech.2023.115626 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine