Compound Detail
CHEMBL4100585
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Basic Information
| ChEMBL ID | CHEMBL4100585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPWBKBBTHMGKEI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
5.97
ALogP
0
HBA
2
HBD
31.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.44 | 4.44 | 36200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 36200.0 | nM | 4.44 | Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigote... | 37859718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859718 | 10.1039/d3md00214d | J774.A1 | 5 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | G-protein coupled receptor 84 | 4 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 4 | 2 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 1 | 1 |
| 37859718 | 10.1039/d3md00214d | Leishmania donovani | 1 |
| 37859718 | 10.1039/d3md00214d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine