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Compound Detail

CHEMBL1770352

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N[C@@H](Cc1nc(-c2ccc(O)cn2)no1)C(=O)Nc1ccccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1770352
Phase Preclinical
Structure Type MOL
InChI Key SUZYQPPULFNIMP-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
1.04
ALogP
8
HBA
4
HBD
164.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N5O5
MW 369.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hydroxycarboxylic acid receptor 2
CHEMBL3785
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hydroxycarboxylic acid receptor 2 IC50 = 1.0 nM 9.0 Displacement of [3H]nicotinic acid from human GPR109A receptor 21185185

Literature References

PubMed DOI Target Context # Activities
21185185 10.1016/j.bmcl.2010.11.116 Hydroxycarboxylic acid receptor 2 3

Data from ChEMBL 36 via Core Engine