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Compound Detail

CHEMBL3409813

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O=C(NCCCCCCCCCCCCNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3409813
Phase Preclinical
Structure Type MOL
InChI Key BKVCQNDFYAZVCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

620.8
MW (Da)
8.91
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.09
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H48N2O4
MW 620.83
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
25617695 10.1016/j.ejmech.2015.01.033 Hepatitis C virus 2
25617695 10.1016/j.ejmech.2015.01.033 Human immunodeficiency virus 1 1
25617695 10.1016/j.ejmech.2015.01.033 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine