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Compound Detail

CHEMBL3409794

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COc1cc(C(=O)NCCCCCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3409794
Phase Preclinical
Structure Type MOL
InChI Key GWVOKSNFCKZVJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
4.24
ALogP
8
HBA
2
HBD
113.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N2O8
MW 532.63
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.20

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