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Compound Detail

CHEMBL2385673

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CCCOc1ccc(-c2cc(OCCN(Cc3ccccc3)Cc3ccccc3)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385673
Phase Preclinical
Structure Type MOL
InChI Key PFJAGQIOSOTJBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

502.7
MW (Da)
7.77
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H34N2O2
MW 502.66
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.93

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