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Compound Detail

CHEMBL4173354

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c1ccc(CN(CCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173354
Phase Preclinical
Structure Type MOL
InChI Key OCWIUCRMHBUFRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
7.17
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36N2
MW 448.65
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.48

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