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Compound Detail

CHEMBL4171219

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CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3c(OC)cc(OC)cc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171219
Phase Preclinical
Structure Type MOL
InChI Key COCBGUHTVIVPQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
5.57
ALogP
6
HBA
0
HBD
53.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N2O4
MW 450.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.75

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