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Compound Detail

CHEMBL6006780

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

Basic Information

ChEMBL ID CHEMBL6006780
Phase Preclinical
Structure Type MOL
InChI Key YPGZNVJLSZKSGN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.39
ALogP
4
HBA
1
HBD
51.1
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 C18H16F2N2O2S
MW 362.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.06

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 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9.0 nM 8.05 Proton Potassium-adenosine Triphosphatase (H+,K+-ATPase) Inhibitory Activity : A... -

Data from ChEMBL 36 via Core Engine