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Compound Detail

CHEMBL4782484

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COC(=O)c1ccccc1NC(=O)CC1CNc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4782484
Phase Preclinical
Structure Type MOL
InChI Key PHJOHDRWJUPEDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.01
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.85
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 C18H18N2O3
MW 310.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.54

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 2

Data from ChEMBL 36 via Core Engine