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Compound Detail

CHEMBL5197056

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Brc1ccc(-c2nc3ccc(-c4ccccc4)cn3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197056
Phase Preclinical
Structure Type MOL
InChI Key BCVBKHVJUXTMKP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.2
MW (Da)
4.83
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12BrN3
MW 350.22
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.60

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