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Compound Detail

CHEMBL4161465

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CCCOc1ccc(-c2cc(OCCN3CCCCCC3)c3cccc(OC)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161465
Phase Preclinical
Structure Type MOL
InChI Key UIPNUIVFFNSZEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
5.95
ALogP
5
HBA
0
HBD
43.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N2O3
MW 434.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.97

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