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Compound Detail

CHEMBL4085348

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O=C(O)c1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085348
Phase Preclinical
Structure Type MOL
InChI Key KQGNAGYBPHWHON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.94
ALogP
1
HBA
3
HBD
68.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O2
MW 290.32
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.02

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