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Compound Detail

CHEMBL5200189

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COc1ccc(-c2nc3ccccn3[n+]2[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5200189
Phase Preclinical
Structure Type MOL
InChI Key HVCWKISNZSUDJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
1.64
ALogP
4
HBA
0
HBD
53.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3O2
MW 241.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.75

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