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Compound Detail

CHEMBL578425

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

Basic Information

ChEMBL ID CHEMBL578425
Phase Preclinical
Structure Type MOL
InChI Key DPHKLRAICLJWHM-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
4.06
ALogP
4
HBA
2
HBD
117.9
PSA (Ų)
0.43
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 C17H12N4O4
MW 336.31
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.49

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
28406627 10.1021/acs.jmedchem.6b01593 G-protein coupled receptor 84 4
19540023 10.1016/j.ejmech.2009.05.011 NON-PROTEIN TARGET 2
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 4 2
19540023 10.1016/j.ejmech.2009.05.011 ADMET 1
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine