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Compound Detail

CHEMBL152793

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CC(C)C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1

Basic Information

ChEMBL ID CHEMBL152793
Phase Preclinical
Structure Type MOL
InChI Key XQPWWOINAVICDQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

432.0
MW (Da)
3.47
ALogP
5
HBA
2
HBD
60.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34ClN5O
MW 432.01
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.28

Activity Summary

IC50 2 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.83 6.83 149.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12570376 10.1021/jm020960r Plasmodium falciparum 1
12570376 10.1021/jm020960r MRC5 1
19361896 10.1016/j.ejmech.2009.02.024 Plasmodium falciparum 1
19361896 10.1016/j.ejmech.2009.02.024 MRC5 1
19361896 10.1016/j.ejmech.2009.02.024 Unchecked 1

Data from ChEMBL 36 via Core Engine