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Compound Detail

CHEMBL4173512

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CCCOc1ccc(-c2cc(OCCCl)c3cc(OC)ccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173512
Phase Preclinical
Structure Type MOL
InChI Key STJUJTYPBATSOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.9
MW (Da)
5.32
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClNO3
MW 371.86
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.80

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