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Compound Detail

CHEMBL4789511

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COn1cc(CC(=O)Nc2ccccc2C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789511
Phase Preclinical
Structure Type MOL
InChI Key BPKNRLWCFCCHIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.19
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.80
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 C18H18N2O2
MW 294.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.89

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