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Compound Detail

CHEMBL4172141

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

Basic Information

ChEMBL ID CHEMBL4172141
Phase Preclinical
Structure Type MOL
InChI Key RRHVRAXUQLHQQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

568.8
MW (Da)
7.21
ALogP
6
HBA
0
HBD
43.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H44N2O4
MW 568.76
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.39

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