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Compound Detail

CHEMBL4778920

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CCCCCCCCCCOn1cc(CC(=O)Nc2ccccc2Cl)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778920
Phase Preclinical
Structure Type MOL
InChI Key BVNCTGIHQRTHDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.0
MW (Da)
7.05
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H33ClN2O2
MW 441.02
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.83

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