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Compound Detail

CHEMBL5959167

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O=Cc1c(S(=O)(=O)C(F)(F)F)ccc(Oc2cc(F)cc(Cl)c2)c1Br

Basic Information

ChEMBL ID CHEMBL5959167
Phase Preclinical
Structure Type MOL
InChI Key CXVKYYUEYFHCOZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
5.14
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H6BrClF4O4S
MW 461.61
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine