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Compound Detail

CHEMBL5881741

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Cc1ccc(-c2cnccc2SC(C)(C)C(=O)O)c2ccccc12

Basic Information

ChEMBL ID CHEMBL5881741
Phase Preclinical
Structure Type MOL
InChI Key MIJATIOVVDMZHS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
5.17
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO2S
MW 337.44
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.24

Activity Summary

EC50 2 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
EC50 6.56 6.56 275.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine