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Compound Detail

CHEMBL2385672

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CCCOc1ccc(-c2cc(OCc3ccccn3)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385672
Phase Preclinical
Structure Type MOL
InChI Key KBMRULWZARHJHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
5.66
ALogP
4
HBA
0
HBD
44.2
PSA (Ų)
0.42
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 C24H22N2O2
MW 370.45
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
23710549 10.1021/jm400262a Quinolone resistance protein NorA 2
23710549 10.1021/jm400262a Staphylococcus aureus 1
35571875 10.1021/acsmedchemlett.2c00123 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine