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Compound Detail

CHEMBL393062

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Cc1[nH]nc(C(=O)O)c1Cl

Basic Information

ChEMBL ID CHEMBL393062
Phase Preclinical
Structure Type MOL
InChI Key FWSYEYQXPSSQMV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

160.6
MW (Da)
1.07
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.65
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 C5H5ClN2O2
MW 160.56
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.42

Activity Summary

EC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hydroxycarboxylic acid receptor 2
CHEMBL3785
EC50 5.6 5.6 2511.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17804224 10.1016/j.bmcl.2007.07.101 Hydroxycarboxylic acid receptor 2 3
17804224 10.1016/j.bmcl.2007.07.101 Hydroxycarboxylic acid receptor 3 2

Data from ChEMBL 36 via Core Engine