Compound Detail
CHEMBL2375613
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Basic Information
| ChEMBL ID | CHEMBL2375613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWJBHAJZRMZXAZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
3.68
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.96
IC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | EC50 | 6.96 | 6.04 | 110.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | EC50 | = | 110.0 | nM | 6.96 | Inhibition of human methionine aminopeptidase 1 in presence of Co2+ | 23634668 |
| Leishmania donovani | IC50 | = | 470.0 | nM | 6.33 | Antileishmanial activity against intracellular Leishmania donovani infected in h... | 36607408 |
| Trypanosoma cruzi | IC50 | = | 900.0 | nM | 6.05 | Antitrypanosomal activity against intracellular Trypanosoma cruzi infected in hu... | 36607408 |
| Methionine aminopeptidase 1 | EC50 | = | 7600.0 | nM | 5.12 | Inhibition of human methionine aminopeptidase 1 in presence of Mn2+ | 23634668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 1 | 2 |
| 36607408 | 10.1021/acs.jmedchem.2c00775 | ADMET | 2 |
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 2 | 1 |
| 36607408 | 10.1021/acs.jmedchem.2c00775 | Trypanosoma cruzi | 1 |
| 36607408 | 10.1021/acs.jmedchem.2c00775 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine