Compound Detail
CHEMBL5412591
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Basic Information
| ChEMBL ID | CHEMBL5412591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDOYKIQFXGTOSP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
0.83
ALogP
5
HBA
0
HBD
62.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.46 | 4.46 | 34900.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.19 | 4.19 | 64800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania braziliensis | IC50 | = | 34900.0 | nM | 4.46 | Antileishmanial activity against promastigote stage of Leishmania braziliensis M... | 37156183 |
| Leishmania infantum | IC50 | = | 64800.0 | nM | 4.19 | Antileishmanial activity against promastigote stage of Leishmania infantum MHOM/... | 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