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Compound Detail

CHEMBL376494

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O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376494
Phase Preclinical
Structure Type MOL
InChI Key OMYROJSLTKWSMM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

523.5
MW (Da)
5.14
ALogP
7
HBA
2
HBD
156.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H17N3O8
MW 523.46
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.18

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16982193 10.1016/j.bmcl.2006.08.061 Integrin alpha-V/beta-3 1

Data from ChEMBL 36 via Core Engine