Compound Detail
CHEMBL5427941
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Basic Information
| ChEMBL ID | CHEMBL5427941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWOFDSBQPINVBB-UXTSPRGOSA-N |
| Parent Compound | CHEMBL5499832 |
| Active Moiety | CHEMBL5499832 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.02
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 27000.0 | nM | 4.57 | Antileishmanial activity against Leishmania donovani promastigotes assessed as p... | 36944273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36944273 | 10.1016/j.ejmech.2023.115256 | Leishmania donovani | 3 |
Data from ChEMBL 36 via Core Engine