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Compound Detail

CHEMBL5795434

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O=S(=O)(c1ccc(Oc2cc(F)cc(Cl)c2)c(Br)c1Cl)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL5795434
Phase Preclinical
Structure Type MOL
InChI Key IHQVJNSVSKDQTL-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.1
MW (Da)
5.98
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H5BrCl2F4O3S
MW 468.05
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.20

Activity Summary

EC50 3 meas. best 5.8
IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
IC50 7.64 7.64 23.0 1
Vascular endothelial growth factor A, long form
CHEMBL1783
EC50 5.8 5.8 1600.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine