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Compound Detail

CHEMBL4163206

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C=COc1cc(-c2ccc(OCCC)cc2)nc2c(OC)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163206
Phase Preclinical
Structure Type MOL
InChI Key DQEXWZYGBOPDKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
5.22
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO3
MW 335.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.48

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