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

CHEMBL1256629

AMIPROPHOS METHYL
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
COP(=S)(NC(C)C)Oc1ccc(C)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1256629
Name AMIPROPHOS METHYL
Phase Preclinical
Structure Type MOL
InChI Key VHEWQRWLIDWRMR-UHFFFAOYSA-N
2
Targets
14
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
3.15
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.49
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 C11H17N2O4PS
MW 304.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.82

Activity Summary

IC50 14 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toxoplasma gondii
CHEMBL612888
 IC50 6.0 5.2383 1000.0 12
Plasmodium falciparum
CHEMBL364
 IC50 5.4 5.4 4000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toxoplasma gondii IC50 = 1000.0 nM 6.0 Antimicrobial activity against Toxoplasma gondii RH infected in HFF cells by pla... 20145086
Toxoplasma gondii IC50 = 1500.0 nM 5.82 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin I2... 20145086
Toxoplasma gondii IC50 = 2100.0 nM 5.68 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin V4... 20145086
Toxoplasma gondii IC50 = 3300.0 nM 5.48 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin S6... 20145086
Toxoplasma gondii IC50 = 3900.0 nM 5.41 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin I2... 20145086
Plasmodium falciparum IC50 = 4000.0 nM 5.4 Antimalarial activity against Plasmodium falciparum 3D7 infected in O-positive h... 21889338
Plasmodium falciparum IC50 = 4000.0 nM 5.4 Antimalarial activity against Plasmodium falciparum 3D7 infected in O positive e... 23659857
Toxoplasma gondii IC50 = 5100.0 nM 5.29 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin H2... 20145086
Toxoplasma gondii IC50 = 5900.0 nM 5.23 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin R2... 20145086
Toxoplasma gondii IC50 = 7100.0 nM 5.15 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin I2... 20145086
Toxoplasma gondii IC50 = 10000.0 nM 5.0 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin F2... 20145086
Toxoplasma gondii IC50 = 19100.0 nM 4.72 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin R2... 20145086
Toxoplasma gondii IC50 = 28500.0 nM 4.54 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin L1... 20145086
Toxoplasma gondii IC50 = 28500.0 nM 4.54 Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin T2... 20145086

Literature References

PubMed DOI Target Context # Activities
20145086 10.1128/aac.01150-09 Toxoplasma gondii 12
21889338 10.1016/j.bmcl.2011.07.088 Plasmodium falciparum 1
23659857 10.1016/j.bmcl.2013.04.026 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine