Compound Detail
CHEMBL4786409
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Basic Information
| ChEMBL ID | CHEMBL4786409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHACGMIGEGFJIZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.8
MW (Da)
2.21
ALogP
7
HBA
1
HBD
114.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 120.0 | nM | 6.92 | Antileishmanial activity against Trypanosoma brucei brucei AnTat 1.9 measured af... | 32652409 |
| Leishmania donovani | EC50 | = | 3900.0 | nM | 5.41 | Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigot... | 32652409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32652409 | 10.1016/j.ejmech.2020.112558 | Unchecked | 2 |
| 32652409 | 10.1016/j.ejmech.2020.112558 | HepG2 | 1 |
| 32652409 | 10.1016/j.ejmech.2020.112558 | Leishmania donovani | 1 |
| 32652409 | 10.1016/j.ejmech.2020.112558 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine