Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2017315

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL2017315
Phase Preclinical
Structure Type MOL
InChI Key UPXAXSGYORFMEQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

602.7
MW (Da)
7.81
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.08
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H36F3NO2P+
MW 602.66
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.46 6.46 345.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 345.6 nM 6.46 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
22414614 10.1016/j.bmcl.2012.02.045 No relevant target 1

Data from ChEMBL 36 via Core Engine