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Compound Detail

CHEMBL5194508

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[O-][n+]1c(-c2ccc(F)cc2)nc2ccccn21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194508
Phase Preclinical
Structure Type MOL
InChI Key WINXNZODLQNKRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

229.2
MW (Da)
1.77
ALogP
3
HBA
0
HBD
44.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8FN3O
MW 229.21
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.24

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