Compound Detail
CHEMBL4163402
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Basic Information
| ChEMBL ID | CHEMBL4163402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJVGVRZZNZSYMG-XUJVJEKNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.74
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.76 | 4.76 | 17300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 180.0 | nM | 6.75 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 axenic amast... | 29244495 |
| Trypanosoma brucei rhodesiense | IC50 | = | 2800.0 | nM | 5.55 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 bloods... | 29244495 |
| L6 | IC50 | = | 17300.0 | nM | 4.76 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue staining based flu... | 29244495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29244495 | 10.1021/acs.jnatprod.7b00747 | Unchecked | 2 |
| 29244495 | 10.1021/acs.jnatprod.7b00747 | L6 | 1 |
| 29244495 | 10.1021/acs.jnatprod.7b00747 | Trypanosoma brucei rhodesiense | 1 |
| 29244495 | 10.1021/acs.jnatprod.7b00747 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine