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Compound Detail

CHEMBL5170959

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COC(=O)c1ccc(-c2nc3ccccn3[n+]2[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5170959
Phase Preclinical
Structure Type MOL
InChI Key NKFZXASNERKRGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
1.42
ALogP
5
HBA
0
HBD
70.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O3
MW 269.26
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
35123295 10.1016/j.ejmech.2022.114122 Aryl hydrocarbon receptor 1

Data from ChEMBL 36 via Core Engine