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Compound Detail

CHEMBL5575728

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COc1ccc(/C=C/C=C/C(=O)c2ccncc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5575728
Phase Preclinical
Structure Type MOL
InChI Key YFDAKGROJBJXLZ-ZUVMSYQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.54
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO2
MW 265.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
38170998 10.1021/acs.jmedchem.3c01615 Sortase A 1
38170998 10.1021/acs.jmedchem.3c01615 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine