Compound Detail
CHEMBL50440
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Basic Information
| ChEMBL ID | CHEMBL50440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFKOKKYJMCJYSF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.22
ALogP
3
HBA
6
HBD
136.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 10900.0 | nM | 4.96 | Inhibitory activity against Leishmania donovani (amastigote) | 12781196 |
| Trypanosoma cruzi | IC50 | = | 86000.0 | nM | 4.07 | Inhibitory activity against Trypanosoma cruzi | 12781196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Leishmania donovani | 2 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Nucleic Acid | 2 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Trypanosoma cruzi | 1 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine