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Compound Detail

CHEMBL5570789

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COc1ccc(/C=C/C=C2C(=O)c3ccccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5570789
Phase Preclinical
Structure Type MOL
InChI Key RNSUHTAEBYEHIU-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.71
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14O3
MW 290.32
Aromatic Rings 2
Heavy Atoms 22

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