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Compound Detail

CHEMBL5189377

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Brc1ccc2nc(-c3ccccc3)nn2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189377
Phase Preclinical
Structure Type MOL
InChI Key BCGHTABUSCLETP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.1
MW (Da)
3.16
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8BrN3
MW 274.12
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -2.16

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