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Compound Detail

CHEMBL5183426

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Brc1ccc(-c2nc3cc4ccccc4cn3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5183426
Phase Preclinical
Structure Type MOL
InChI Key JOOQDESTDDXJFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.2
MW (Da)
4.31
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10BrN3
MW 324.18
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -1.46

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