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Compound Detail

CHEMBL146860

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C=CC[N+](C)(CC=C)CCCCCCCCCCCC.[Br-]

Basic Information

ChEMBL ID CHEMBL146860
Phase Preclinical
Structure Type MOL
InChI Key OVPAAVVSBNNSDW-UHFFFAOYSA-M
Parent Compound CHEMBL1180903
Active Moiety CHEMBL1180903
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.5
MW (Da)
5.73
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.20
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 C19H38BrN
MW 360.42
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.45

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 140.0 nM 6.85 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