Compound Detail
CHEMBL5414096
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Basic Information
| ChEMBL ID | CHEMBL5414096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIQWQPBGJZMYMH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
0.84
ALogP
6
HBA
0
HBD
71.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 6200.0 | nM | 5.21 | Antileishmanial activity against promastigote stage of Leishmania infantum MHOM/... | 37156183 |
| Leishmania braziliensis | IC50 | = | 17500.0 | nM | 4.76 | Antileishmanial activity against promastigote stage of Leishmania braziliensis M... | 37156183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37156183 | 10.1016/j.ejmech.2023.115445 | ADMET | 2 |
| 37156183 | 10.1016/j.ejmech.2023.115445 | Leishmania infantum | 1 |
| 37156183 | 10.1016/j.ejmech.2023.115445 | Leishmania braziliensis | 1 |
| 37156183 | 10.1016/j.ejmech.2023.115445 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine