Compound Detail
CHEMBL1462697
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Basic Information
| ChEMBL ID | CHEMBL1462697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDRJLOXZZHKSFX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
261.2
MW (Da)
0.50
ALogP
6
HBA
1
HBD
103.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
EC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.32 | 6.32 | 479.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.47 | 5.47 | 3383.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.0 | 5.0 | 9960.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.55 | 4.55 | 28120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 479.0 | nM | 6.32 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Trypanosoma cruzi | IC50 | = | 3383.0 | nM | 5.47 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C4 amastigotes | 22550999 |
| Trypanosoma brucei rhodesiense | IC50 | = | 9960.0 | nM | 5.0 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 trypom... | 22550999 |
| Leishmania donovani | IC50 | = | 28120.0 | nM | 4.55 | Antileishmanial activity against Leishmania donovani MHOM-ET67/L82 amastigotes | 22550999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22550999 | 10.1021/jm300508n | Trypanosoma brucei brucei | 4 |
| 22550999 | 10.1021/jm300508n | Trypanosoma cruzi | 2 |
| 22550999 | 10.1021/jm300508n | Unchecked | 2 |
| 22550999 | 10.1021/jm300508n | Trypanosoma brucei rhodesiense | 1 |
| 22550999 | 10.1021/jm300508n | Leishmania donovani | 1 |
| 22550999 | 10.1021/jm300508n | L6 | 1 |
Data from ChEMBL 36 via Core Engine