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Compound Detail

CHEMBL4585373

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CC1=C(C(=O)Nc2ccccc2C)C(CC(C)C)C(C(=O)c2ccccc2)=C(C)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4585373
Phase Preclinical
Structure Type MOL
InChI Key SCPYAWHERQAZGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.63
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O2
MW 402.54
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.80

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