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Compound Detail

CHEMBL492219

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O=C(CCc1ccccc1)Nc1ccccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492219
Phase Preclinical
Structure Type MOL
InChI Key MNOIKDHVQKNPMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
2.96
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO3
MW 269.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
30878828 10.1016/j.ejmech.2019.02.074 Transient receptor potential cation channel subfamily A member 1 6
30878828 10.1016/j.ejmech.2019.02.074 Transient receptor potential cation channel subfamily M member 8 5
18760600 10.1016/j.bmcl.2008.08.030 Hydroxycarboxylic acid receptor 2 2
30878828 10.1016/j.ejmech.2019.02.074 No relevant target 1

Data from ChEMBL 36 via Core Engine