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Compound Detail

CHEMBL151895

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C[N+](C)(C)CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]

Basic Information

ChEMBL ID CHEMBL151895
Phase Preclinical
Structure Type MOL
InChI Key FZMAHMZAQNLLSA-UHFFFAOYSA-L
Parent Compound CHEMBL1181024
Active Moiety CHEMBL1181024
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.7
MW (Da)
5.86
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H50Br2N2
MW 502.46
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 0.33

Activity Summary

IC50 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 4.0 nM 8.4 In vitro activity against Plasmodium falciparum 10669577

Literature References

PubMed DOI Target Context # Activities
10669577 10.1021/jm9911027 Plasmodium falciparum 1
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine