Compound Detail
CHEMBL407264
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Basic Information
| ChEMBL ID | CHEMBL407264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTYIIVFLDQCJPG-STZFKDTASA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.60
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
EC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.1 | 7.39 | 8.0 | 2 |
| Procathepsin L CHEMBL3837 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Trypanosoma brucei rhodesain | 18420405 |
| Procathepsin L | IC50 | = | 9.4 | nM | 8.03 | Inhibition of human cathepsin L | 18420405 |
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Trypanosoma brucei cathepsin B | 18420405 |
| Cathepsin B | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human cathepsin B | 18420405 |
| Trypanosoma brucei | EC50 | = | 1500.0 | nM | 5.82 | Antitrypanosomal activity against Trypanosoma brucei | 18420405 |
| Plasmodium falciparum | EC50 | = | 30000.0 | nM | 4.52 | Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-s... | 19447616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19447616 | 10.1016/j.bmcl.2009.04.142 | Plasmodium falciparum | 4 |
| 18420405 | 10.1016/j.bmcl.2008.03.083 | Unchecked | 2 |
| 18420405 | 10.1016/j.bmcl.2008.03.083 | Trypanosoma brucei | 1 |
| 18420405 | 10.1016/j.bmcl.2008.03.083 | Procathepsin L | 1 |
| 18420405 | 10.1016/j.bmcl.2008.03.083 | Cathepsin B | 1 |
| 18420405 | 10.1016/j.bmcl.2008.03.083 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine