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Compound Detail

CHEMBL357523

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

Basic Information

ChEMBL ID CHEMBL357523
Phase Preclinical
Structure Type MOL
InChI Key UKOBDNFOFACYQI-UHFFFAOYSA-L
Parent Compound CHEMBL1184586
Active Moiety CHEMBL1184586
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.8
MW (Da)
8.20
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.11
QED
1
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H62Br2N2
MW 586.63
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.09

Activity Summary

IC50 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 1.6 nM 8.8 In vitro activity against Plasmodium falciparum 10669577

Literature References

PubMed DOI Target Context # Activities
10669577 10.1021/jm9911027 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine