Compound Detail
CHEMBL4789978
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Basic Information
| ChEMBL ID | CHEMBL4789978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKZMYVXLOBDPGO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
432.3
MW (Da)
4.25
ALogP
7
HBA
0
HBD
94.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.17 | 7.17 | 67.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Leishmania infantum CHEMBL612848 | EC50 | 4.99 | 4.99 | 10300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 67.0 | nM | 7.17 | Antitrypanosomal activity against bloodstream form Trypanosoma brucei brucei AnT... | 32795774 |
| Leishmania donovani | EC50 | = | 1200.0 | nM | 5.92 | Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigot... | 32795774 |
| Leishmania infantum | EC50 | = | 10300.0 | nM | 4.99 | Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 axenic... | 32795774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32795774 | 10.1016/j.ejmech.2020.112668 | Unchecked | 3 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | HepG2 | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Leishmania donovani | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Leishmania infantum | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Trypanosoma brucei brucei | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Albumin | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine