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Compound Detail

CHEMBL194883

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CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccc(F)cc3)o2)c1

Basic Information

ChEMBL ID CHEMBL194883
Phase Preclinical
Structure Type MOL
InChI Key QKSJQFXYMMEPRF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.03
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN2O4S
MW 376.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.59

Activity Summary

IC50 2 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.1 7.1 79.0 1
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15743202 10.1021/jm049538w Vascular endothelial growth factor receptor 2 1
15743202 10.1021/jm049538w Vascular endothelial growth factor receptor 1
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine