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Compound Detail

CHEMBL5278606

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NC(=O)Cc1cn(S(=O)(=O)c2ccsc2C(=O)O)c2ccccc12

Basic Information

ChEMBL ID CHEMBL5278606
Phase Preclinical
Structure Type MOL
InChI Key MQKIGUKPIREMSU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.67
ALogP
6
HBA
2
HBD
119.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O5S2
MW 364.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty acid-binding protein, adipocyte
CHEMBL2083
IC50 4.5 4.5 32000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28738306 10.1016/j.ejmech.2017.07.022 Fatty acid-binding protein, adipocyte 1

Data from ChEMBL 36 via Core Engine