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Compound Detail

CHEMBL247526

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CCCC1CCc2c1n[nH]c2C(=O)O

Basic Information

ChEMBL ID CHEMBL247526
Phase Preclinical
Structure Type MOL
InChI Key DGZJLLXZZVXQTL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
1.94
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N2O2
MW 194.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.01

Activity Summary

EC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hydroxycarboxylic acid receptor 2
CHEMBL3785
EC50 5.18 5.18 6600.0 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