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Compound Detail

CHEMBL2017488

BUTYLTRIPHENYLPHOSPHONIUM
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CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL2017488
Name BUTYLTRIPHENYLPHOSPHONIUM
Phase Preclinical
Structure Type MOL
InChI Key BEVHTMLFDWFAQF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
4.78
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24P+
MW 319.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.13

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 3500.0 nM 5.46 Antiplasmodial activity against Plasmodium falciparum W2 infected in human eryth... 22414614

Literature References

PubMed DOI Target Context # Activities
22414614 10.1016/j.bmcl.2012.02.045 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine