Compound Detail
CHEMBL5410455
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Basic Information
| ChEMBL ID | CHEMBL5410455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMPPREDDSGKDBS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.2
MW (Da)
2.69
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.39 | 5.39 | 4060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 4060.0 | nM | 5.39 | Antileishmanial activity against Leishmania donovani amastigotes infected in J77... | 36565533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36565533 | 10.1016/j.ejmech.2022.114996 | ADMET | 2 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | Leishmania donovani | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | J774.A1 | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | Vero | 1 |
Data from ChEMBL 36 via Core Engine