Compound Detail
CHEMBL4874673
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4874673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZLNNIUTJOYBMK-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
13
PK Parameters
13
Publications
0
Known Names
Molecular Properties
335.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 7.17 | 6.965 | 67.0 | 2 |
| Leishmania donovani CHEMBL367 | EC50 | 6.39 | 6.0775 | 411.0 | 4 |
| Leishmania infantum CHEMBL612848 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 120000.0 | ng.hr.mL-1 | Mesocricetus auratus |
| CL | 11.9 | mL.min-1.g-1 | Homo sapiens |
| CL | 11.9 | mL.min-1.g-1 | Mesocricetus auratus |
| CL | 4.5 | uL/min | Rattus norvegicus |
| CL | 13.7 | uL/min | Canis lupus familiaris |
| CL | 0.001 | mL.min-1.kg-1 | Homo sapiens |
| F | 94.0 | % | Rattus norvegicus |
| F | 39.0 | % | Canis lupus familiaris |
| F | 90.0 | % | Homo sapiens |
| T1/2 | 2.8 | hr | Rattus norvegicus |
| T1/2 | 1.5 | hr | Canis lupus familiaris |
| Vd | 0.6 | L.kg-1 | Rattus norvegicus |
| Vd | 1.3 | L.kg-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 67.0 | nM | 7.17 | Antitrypanosomal activity against wild-type Trypanosoma brucei | 34711050 |
| Trypanosoma brucei | EC50 | = | 172.0 | nM | 6.76 | Antitrypanosomal activity against Trypanosoma brucei overexpressing wild-type CP... | 34711050 |
| Leishmania donovani | EC50 | = | 411.0 | nM | 6.39 | Antileishmanial activity against promastigote form of wild-type Leishmania donov... | 34711050 |
| Leishmania donovani | EC50 | = | 508.0 | nM | 6.29 | Antileishmanial activity against promastigote form of Leishmania donovani overex... | 34711050 |
| Leishmania donovani | EC50 | = | 1400.0 | nM | 5.85 | Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/ET... | 34711050 |
| Leishmania donovani | EC50 | = | 1674.0 | nM | 5.78 | Antileishmanial activity against promastigote form of Leishmania donovani overex... | 34711050 |
| Leishmania infantum | EC50 | = | 1800.0 | nM | 5.75 | Antileishmanial activity against amastigote stage of Leishmania infantum MHOM/MA... | 34711050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34711050 | 10.1021/acs.jmedchem.1c01437 | ADMET | 36 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Leishmania donovani | 19 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Leishmania infantum | 14 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | No relevant target | 2 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Trypanosoma brucei | 2 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Peritoneal macrophage | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | MRC5 | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Cytochrome P450 1A2 | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Cytochrome P450 2C9 | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Cytochrome P450 2C19 | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Cytochrome P450 2D6 | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Cytochrome P450 3A4 | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine