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Compound Detail

CHEMBL4778907

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O=C(Cc1cn(OC(=O)c2ccccc2)c2ccccc12)Nc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778907
Phase Preclinical
Structure Type MOL
InChI Key CWPTZTXWUQUMQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
4.74
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H17ClN2O3
MW 404.85
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.00

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