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Compound Detail

CHEMBL2092874

AMPEROZIDE DIHYDROCHLORIDE
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CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.Cl.Cl

Basic Information

ChEMBL ID CHEMBL2092874
Name AMPEROZIDE DIHYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key KOTPHFATFCZQQO-UHFFFAOYSA-N
Parent Compound CHEMBL1079935
Active Moiety CHEMBL1079935
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.22
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31Cl2F2N3O
MW 474.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.35 6.35 443.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 443.0 nM 6.35 Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi... 20547797

Literature References

PubMed DOI Target Context # Activities
20547797 10.1128/aac.00431-10 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine