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Compound Detail

CHEMBL4793112

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COn1cc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4793112
Phase Preclinical
Structure Type MOL
InChI Key DZIXTWMOPHMKGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
2.79
ALogP
5
HBA
1
HBD
86.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O4
MW 325.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
32004936 10.1016/j.ejmech.2020.112071 Human immunodeficiency virus 1 2
32004936 10.1016/j.ejmech.2020.112071 HEK-293T 2

Data from ChEMBL 36 via Core Engine