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Compound Detail

CHEMBL4439965

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CC1=C(C(=O)c2ccccc2)C(CC(C)C)C2=C(CCCC2=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439965
Phase Preclinical
Structure Type MOL
InChI Key RJFFDDLCRGJECN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
4.42
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.83
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 C21H25NO2
MW 323.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
32141297 10.1021/acs.jmedchem.9b02036 Free fatty acid receptor 3 2

Data from ChEMBL 36 via Core Engine