Compound Detail
CHEMBL1995195
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Basic Information
| ChEMBL ID | CHEMBL1995195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OESZGFYDUDJFLN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
5.74
ALogP
2
HBA
2
HBD
74.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.8 | 4.595 | 15940.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 15940.0 | nM | 4.8 | Antileishmanial activity against promastigote of Leishmania donovani after 72 hr... | 23517732 |
| Leishmania donovani | IC50 | = | 40790.0 | nM | 4.39 | Antileishmanial activity against axenic amastigote of Leishmania donovani after ... | 23517732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Leishmania donovani | 4 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | G-protein coupled receptor 84 | 4 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 4 | 2 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Vero | 1 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 1 | 1 |
| 28377058 | 10.1016/j.bmcl.2017.03.070 | Staphylococcus aureus | 1 |
| 37859718 | 10.1039/d3md00214d | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine