Compound Detail
CHEMBL5565124
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Basic Information
| ChEMBL ID | CHEMBL5565124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VILUMWGJKPPENZ-GRSHGNNSSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
2.11
ALogP
9
HBA
1
HBD
154.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania tropica CHEMBL612881 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 7.05 | 7.05 | 90.0 | 3 |
| ADMET CHEMBL612558 | IC50 | 5.49 | 5.49 | 3260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania tropica | IC50 | = | 40.0 | nM | 7.4 | Antileishmanial activity against Leishmania tropica MHOM/A7/1974/SAF-K27 assesse... | 37976706 |
| Leishmania donovani | IC50 | = | 90.0 | nM | 7.05 | Antileishmanial activity against Leishmania donovani promastigotes MHOM/SD/62/1S... | 37976706 |
| Leishmania donovani | IC50 | = | 90.0 | nM | 7.05 | Antileishmanial activity against Leishmania donovani amastigotes MHOM/SD/62/1S a... | 37976706 |
| Leishmania donovani | IC50 | = | 90.0 | nM | 7.05 | Antileishmanial activity against Leishmania donovani 9515 amastigotes assessed a... | 37976706 |
| ADMET | IC50 | = | 3260.0 | nM | 5.49 | Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... | 37976706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37976706 | 10.1016/j.ejmech.2023.115927 | Leishmania donovani | 3 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | ADMET | 1 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | Leishmania tropica | 1 |
Data from ChEMBL 36 via Core Engine