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Compound Detail

CHEMBL4175575

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COc1ccc(CN(CCCCCCCCN(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175575
Phase Preclinical
Structure Type MOL
InChI Key PEXNDYYGZGLOAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

624.9
MW (Da)
8.77
ALogP
6
HBA
0
HBD
43.4
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 C40H52N2O4
MW 624.87
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
29223887 10.1016/j.ejmech.2017.11.069 Plasmodium falciparum 2
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