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Compound Detail

CHEMBL4850966

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Cc1ccc(C)c(-c2cc3cc(CCC(=O)O)ccc3n2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850966
Phase Preclinical
Structure Type MOL
InChI Key JDBLTEPZMFXOMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
4.48
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO2
MW 307.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
33769827 10.1021/acs.jmedchem.1c00031 Free fatty acid receptor 1 2
33769827 10.1021/acs.jmedchem.1c00031 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine