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Compound Detail

CHEMBL247724

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O=C(O)c1[nH]nc2c1CSC2

Basic Information

ChEMBL ID CHEMBL247724
Phase Preclinical
Structure Type MOL
InChI Key UPGCPKMSUIFDIM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

170.2
MW (Da)
0.85
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6N2O2S
MW 170.19
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -1.37

Activity Summary

EC50 1 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hydroxycarboxylic acid receptor 2
CHEMBL3785
EC50 5.25 5.25 5600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17588745 10.1016/j.bmcl.2007.06.028 Hydroxycarboxylic acid receptor 2 1

Data from ChEMBL 36 via Core Engine