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Compound Detail

CHEMBL4071153

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c1ccc(COc2ccc3[nH]cc(Cc4c[nH]c5ccc(OCc6ccccc6)cc45)c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4071153
Phase Preclinical
Structure Type MOL
InChI Key UMDWFMPGQLTSFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
7.40
ALogP
2
HBA
2
HBD
50.0
PSA (Ų)
0.25
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 C31H26N2O2
MW 458.56
Aromatic Rings 6
Heavy Atoms 35
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
28406627 10.1021/acs.jmedchem.6b01593 G-protein coupled receptor 84 4
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 4 2
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine