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Compound Detail

CHEMBL206494

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CC(C)(Oc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206494
Phase Preclinical
Structure Type MOL
InChI Key UNYJPDIGVVLWNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
5.33
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23NO4
MW 377.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
16439116 10.1016/j.bmcl.2006.01.007 Free fatty acid receptor 1 2

Data from ChEMBL 36 via Core Engine