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Compound Detail

CHEMBL4166649

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CCCOc1ccc(-c2cc(O)c3cc(OC)c(OC)cc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166649
Phase Preclinical
Structure Type MOL
InChI Key QRQQLAZEPCXNLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
4.41
ALogP
5
HBA
1
HBD
60.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO4
MW 339.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
30067360 10.1021/acs.jmedchem.8b00791 Quinolone resistance protein NorA 3
30067360 10.1021/acs.jmedchem.8b00791 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine