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Compound Detail

CHEMBL4799319

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COC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799319
Phase Preclinical
Structure Type MOL
InChI Key HZVWVQLUJTYMDB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.14
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.73
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 C18H16N2O3
MW 308.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.92

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