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Compound Detail

CHEMBL1950471

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COc1ccc(CNCCCCNCc2ccc(OC)c(O)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1950471
Phase Preclinical
Structure Type MOL
InChI Key JUGNXWRWILGXGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.77
ALogP
6
HBA
4
HBD
83.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N2O4
MW 360.45
Aromatic Rings 2
Heavy Atoms 26

Literature References

PubMed DOI Target Context # Activities
29223887 10.1016/j.ejmech.2017.11.069 Plasmodium falciparum 2
22248858 10.1016/j.bmcl.2011.12.101 Trypanosoma cruzi 1
22248858 10.1016/j.bmcl.2011.12.101 Trypanosoma brucei 1
22248858 10.1016/j.bmcl.2011.12.101 Leishmania donovani 1
22248858 10.1016/j.bmcl.2011.12.101 Vero 1
29223887 10.1016/j.ejmech.2017.11.069 Toxoplasma gondii 1
29223887 10.1016/j.ejmech.2017.11.069 Vero 1

Data from ChEMBL 36 via Core Engine