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Compound Detail

CHEMBL483153

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O=C(CCCCc1ccc2ccccc2c1)Nc1ccccc1C(=O)O

Basic Information

ChEMBL ID CHEMBL483153
Phase Preclinical
Structure Type MOL
InChI Key UWJFPRXHQTYSII-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.89
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO3
MW 347.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.49

Activity Summary

EC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hydroxycarboxylic acid receptor 2
CHEMBL3785
EC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19309152 10.1021/jm900151e Hydroxycarboxylic acid receptor 2 1

Data from ChEMBL 36 via Core Engine