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Compound Detail

CHEMBL392918

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CC(=O)OC1CC2(N3CCCCC3)CC(c3ccccc3)C1C(c1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL392918
Phase Preclinical
Structure Type MOL
InChI Key HMMXRBXGPAQIDO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

403.6
MW (Da)
5.52
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33NO2
MW 403.57
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.55

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei rhodesiense
CHEMBL612348
IC50 5.0 5.0 9890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17544672 10.1016/j.bmc.2007.05.042 Trypanosoma brucei rhodesiense 1
17544672 10.1016/j.bmc.2007.05.042 Plasmodium falciparum 1
17544672 10.1016/j.bmc.2007.05.042 L6 1

Data from ChEMBL 36 via Core Engine