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Compound Detail

CHEMBL4778173

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CC(=O)On1cc(CC(=O)Nc2ccccc2Cl)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778173
Phase Preclinical
Structure Type MOL
InChI Key PFRXFPATMIQQRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.8
MW (Da)
3.45
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClN2O3
MW 342.78
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
32004936 10.1016/j.ejmech.2020.112071 Human immunodeficiency virus 1 2
32004936 10.1016/j.ejmech.2020.112071 HEK-293T 1

Data from ChEMBL 36 via Core Engine