Compound Detail
CHEMBL2229099
TOLFENPYRAD Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2229099 |
| Name | TOLFENPYRAD |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPALTCMYPARVNV-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
4.67
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 6.83 | 20.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.27 | 5.27 | 5350.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.69 | 4.585 | 20360.0 | 2 |
| MCF-10A CHEMBL614321 | IC50 | 4.47 | 4.47 | 33700.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.34 | 4.34 | 45630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Haemonchus contortus by L4 development assay | 33352050 |
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Toxicity in rat FAO cells assessed as reduction in cellular respiration incubate... | 33352050 |
| Trypanosoma cruzi | IC50 | = | 5350.0 | nM | 5.27 | AntiTrypanosoma cruzi activity IC50 (uM) | - |
| Trypanosoma brucei | IC50 | = | 20360.0 | nM | 4.69 | AntiTrypanosoma brucei activity T. b. rhodesiense IC50 (uM) | - |
| Trypanosoma brucei | IC50 | = | 32950.0 | nM | 4.48 | AntiTrypanosoma brucei activity T. b. brucei IC50 (uM) | - |
| MCF-10A | IC50 | = | 33700.0 | nM | 4.47 | Toxicity in human MCF-10A cells | 33352050 |
| Leishmania infantum | IC50 | = | 45630.0 | nM | 4.34 | AntiLeishmania activity L. infantum (macrophages) IC50 (uM) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22304385 | 10.1021/jf204778v | Helicoverpa armigera | 6 |
| 33352050 | 10.1021/acs.jmedchem.0c01793 | Unchecked | 4 |
| - | 10.1584/jpestics.24.393 | Plutella xylostella | 4 |
| - | 10.1584/jpestics.24.393 | Myzus persicae | 4 |
| - | 10.1584/jpestics.21.305 | Nephotettix cincticeps | 3 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma brucei | 2 |
| 33352050 | 10.1021/acs.jmedchem.0c01793 | ADMET | 2 |
| 22304385 | 10.1021/jf204778v | Plutella xylostella | 2 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3832761 | Plasmodium berghei | 1 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3832761 | MRC5 | 1 |
| - | 10.6019/CHEMBL3832761 | Leishmania infantum | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| 33352050 | 10.1021/acs.jmedchem.0c01793 | MCF-10A | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine