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Compound Detail

CHEMBL5435108

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O=C(O)COc1ccc(-c2nnc(-c3ccccc3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5435108
Phase Preclinical
Structure Type MOL
InChI Key BSMNSZZESJDWDG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
2.87
ALogP
5
HBA
1
HBD
85.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O4
MW 296.28
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
37256819 10.1021/acs.jmedchem.3c00485 Nuclear receptor subfamily 4 group A member 2 3

Data from ChEMBL 36 via Core Engine