Compound Detail
CHEMBL482921
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Basic Information
| ChEMBL ID | CHEMBL482921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMTLAJFYOVDDHM-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1186932 |
| Active Moiety | CHEMBL1186932 |
5
Targets
6
Activities
1
Assay Types
16
PK Parameters
10
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
5.10
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.57 | 8.545 | 2.7 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.61 | 6.61 | 245.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.84 | 5.84 | 1439.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.19 | 5.19 | 6430.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1.54 | - | Rattus norvegicus |
| AUC | 1.38 | - | Rattus norvegicus |
| AUC | 7.0 | - | Rattus norvegicus |
| CL | 44.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 43.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 43.33 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 60.7 | % | Rattus norvegicus |
| F | 89.6 | % | Rattus norvegicus |
| T1/2 | 8.82 | hr | Rattus norvegicus |
| T1/2 | 9.84 | hr | Rattus norvegicus |
| T1/2 | 10.3 | hr | Rattus norvegicus |
| Tmax | 0.99 | hr | Rattus norvegicus |
| Tmax | 0.98 | hr | Rattus norvegicus |
| Vd | 35.3 | L.kg-1 | Rattus norvegicus |
| Vd | 36.9 | L.kg-1 | Rattus norvegicus |
| Vd | 38.5 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.69 | nM | 8.57 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 19181530 |
| Plasmodium falciparum | IC50 | = | 3.0 | nM | 8.52 | Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodi... | 18476684 |
| Trypanosoma cruzi | IC50 | = | 48.0 | nM | 7.32 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 | 18476684 |
| Trypanosoma brucei rhodesiense | IC50 | = | 245.0 | nM | 6.61 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18476684 |
| Leishmania donovani | IC50 | = | 1439.0 | nM | 5.84 | Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 axenic amast... | 18476684 |
| L6 | IC50 | = | 6430.0 | nM | 5.19 | Cytotoxicity against rat L6 cells | 18476684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19181530 | 10.1016/j.bmc.2009.01.021 | Rattus norvegicus | 25 |
| 19181530 | 10.1016/j.bmc.2009.01.021 | Plasmodium berghei | 15 |
| 18476684 | 10.1021/jm8003619 | Unchecked | 4 |
| 18476684 | 10.1021/jm8003619 | Plasmodium falciparum | 1 |
| 18476684 | 10.1021/jm8003619 | Trypanosoma cruzi | 1 |
| 18476684 | 10.1021/jm8003619 | Trypanosoma brucei rhodesiense | 1 |
| 18476684 | 10.1021/jm8003619 | Leishmania donovani | 1 |
| 18476684 | 10.1021/jm8003619 | L6 | 1 |
| 19181530 | 10.1016/j.bmc.2009.01.021 | Plasmodium falciparum | 1 |
| 19181530 | 10.1016/j.bmc.2009.01.021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine