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Compound Detail

CHEMBL4797250

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CCCOn1cc(C(=O)C(=O)Cc2ccncc2Cl)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4797250
Phase Preclinical
Structure Type MOL
InChI Key DTBIGSWLOKQQFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
3.52
ALogP
5
HBA
0
HBD
61.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN2O3
MW 356.81
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.71

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