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Compound Detail

CHEMBL5393776

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CN1C(=O)N/C(=C\c2c[nH]c3ccccc23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5393776
Phase Preclinical
Structure Type MOL
InChI Key ZDRXRUGIFKLBDT-WDZFZDKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
1.69
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3O2
MW 241.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
37348572 10.1016/j.bmcl.2023.129383 Aryl hydrocarbon receptor 1

Data from ChEMBL 36 via Core Engine