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Compound Detail

CHEMBL5853690

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CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5853690
Phase Preclinical
Structure Type MOL
InChI Key KGDQVAGQBNYSNK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
2.65
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19FN2O4S2
MW 422.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.21 7.21 62.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 62.0 nM 7.21 Proton Potassium-adenosine Triphosphatase (H+,K+-ATPase) Inhibitory Activity : A... -

Data from ChEMBL 36 via Core Engine