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Compound Detail

CHEMBL3409811

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

Basic Information

ChEMBL ID CHEMBL3409811
Phase Preclinical
Structure Type MOL
InChI Key IXBDNWUOWWJAML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
5.00
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N2O4
MW 480.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.60

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