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Compound Detail

CHEMBL466437

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CN1CCN(CC(=O)OC2CC3(N4CCCC4)CC(c4ccccc4)C2C(c2ccccc2)C3)CC1

Basic Information

ChEMBL ID CHEMBL466437
Phase Preclinical
Structure Type MOL
InChI Key OUNJNJICLLAMIU-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

487.7
MW (Da)
4.36
ALogP
5
HBA
0
HBD
36.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H41N3O2
MW 487.69
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.15

Activity Summary

IC50 3 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei rhodesiense
CHEMBL612348
IC50 6.85 6.85 140.0 1
Plasmodium falciparum
CHEMBL364
IC50 6.27 6.27 540.0 1
L6
CHEMBL614793
IC50 4.61 4.61 24590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19395265 10.1016/j.bmc.2009.04.002 Unchecked 2
19395265 10.1016/j.bmc.2009.04.002 Plasmodium falciparum 1
19395265 10.1016/j.bmc.2009.04.002 Trypanosoma brucei rhodesiense 1
19395265 10.1016/j.bmc.2009.04.002 L6 1

Data from ChEMBL 36 via Core Engine