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Compound Detail

CHEMBL3409810

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COc1cccc(C(=O)NCCCCCCCCCCCCNC(=O)c2cccc(OC)c2OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3409810
Phase Preclinical
Structure Type MOL
InChI Key SUGKJKHYZIGFSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

528.7
MW (Da)
5.78
ALogP
6
HBA
2
HBD
95.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H44N2O6
MW 528.69
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.33

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