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Compound Detail

CHEMBL5207468

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[O-][n+]1c(-c2ccc3ccccc3c2)nc2ccccn21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207468
Phase Preclinical
Structure Type MOL
InChI Key JBUNPPZHFJRXSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
2.79
ALogP
3
HBA
0
HBD
44.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O
MW 261.28
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.66

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