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Compound Detail

CHEMBL5844041

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Cc1cc(C(N)=O)ccc1-c1cnccc1SC(C)(C)C(=O)O

Basic Information

ChEMBL ID CHEMBL5844041
Phase Preclinical
Structure Type MOL
InChI Key YSRIGSLRAHZTCJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.11
ALogP
4
HBA
2
HBD
93.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O3S
MW 330.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.59

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