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Compound Detail

CHEMBL5189144

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[O-][n+]1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2ccccn21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189144
Phase Preclinical
Structure Type MOL
InChI Key SPKDTVPLBMOZBX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.7
MW (Da)
3.55
ALogP
4
HBA
0
HBD
57.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10ClN3O2
MW 311.73
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.99

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