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Compound Detail

CHEMBL423396

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C[N+]1(CCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1.[Br-].[Br-]

Basic Information

ChEMBL ID CHEMBL423396
Phase Preclinical
Structure Type MOL
InChI Key ZJFCUSYCBGGWJL-UHFFFAOYSA-L
Parent Compound CHEMBL1185616
Active Moiety CHEMBL1185616
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.7
MW (Da)
6.15
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H50Br2N2
MW 526.49
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 0.14

Activity Summary

IC50 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 1.1 nM 8.96 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