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Compound Detail

CHEMBL397514

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O=C(O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(C(=O)O)cc34)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL397514
Phase Preclinical
Structure Type MOL
InChI Key WMOTXJFYJGHGHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
3.64
ALogP
2
HBA
4
HBD
106.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2O4
MW 334.33
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
28406627 10.1021/acs.jmedchem.6b01593 G-protein coupled receptor 84 5
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 4 2
17602463 10.1021/jm070040e MCF7 1
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine