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

CHEMBL374042

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
CN(Cc1ccccc1)C(P(=O)(O)O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374042
Phase Preclinical
Structure Type MOL
InChI Key FOXDWSGGTHOPOM-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

295.2
MW (Da)
0.76
ALogP
3
HBA
4
HBD
118.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15NO6P2
MW 295.17
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.46

Activity Summary

IC50 5 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.1 6.08 794.3 2
HFF
CHEMBL614071
 IC50 4.12 4.12 76700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 794.33 nM 6.1 Inhibition of Plasmodium vivax FPPS expressed in Escherichia coli BL21 by spectr... 19053772
Unchecked IC50 = 870.0 nM 6.06 Inhibition of Plasmodium vivax FPPS expressed in Escherichia coli BL21 by spectr... 19053772
HFF IC50 = 76700.0 nM 4.12 In vitro inhibitory concentration against the growth of Toxoplasma gondii in hum... 15857119

Literature References

PubMed DOI Target Context # Activities
19053772 10.1021/jm8009074 Unchecked 2
19053772 10.1021/jm8009074 Plasmodium falciparum 2
15857119 10.1021/jm040132t HFF 1
17149863 10.1021/jm060492b Escherichia coli 1

Data from ChEMBL 36 via Core Engine