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Compound Detail

CHEMBL202153

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Cc1ccc(NC(=O)c2scnc2CCc2ccncc2)c(F)c1

Basic Information

ChEMBL ID CHEMBL202153
Phase Preclinical
Structure Type MOL
InChI Key AGGJJUDCDYBLHH-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
4.02
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16FN3OS
MW 341.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.73

Activity Summary

IC50 3 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.64 6.575 230.0 2
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16275072 10.1016/j.bmcl.2005.10.058 Vascular endothelial growth factor receptor 2 2
16275072 10.1016/j.bmcl.2005.10.058 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine