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Compound Detail

CHEMBL5843379

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CNCc1cc(-c2ccc(F)cc2F)n(S(=O)(=O)c2cccnc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5843379
Phase Preclinical
Structure Type MOL
InChI Key MEKCOJNXUWQYBP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
2.78
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15F2N3O2S
MW 363.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.05 8.05 8.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8.9 nM 8.05 Proton Potassium-adenosine Triphosphatase (H+,K+-ATPase) Inhibitory Activity : A... -

Data from ChEMBL 36 via Core Engine