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Compound Detail

CHEMBL223154

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O=C(COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)Nc1cccc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223154
Phase Preclinical
Structure Type MOL
InChI Key FKYYFGNYHJQUGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
3.98
ALogP
5
HBA
2
HBD
118.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N2O6
MW 392.37
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
17328532 10.1021/jm0610292 Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha 1
17328532 10.1021/jm0610292 AGS 1

Data from ChEMBL 36 via Core Engine