Compound Detail
CHEMBL3623005
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Basic Information
| ChEMBL ID | CHEMBL3623005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WORZSRYKTGYIKJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
13
PK Parameters
12
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
2.42
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 17240.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1930.88 | ng.hr.mL-1 | Mus musculus |
| CL | 4.4 | mL.min-1.kg-1 | Mus musculus |
| CL | 4.4 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2.6 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 8200.0 | nM | Mus musculus |
| Cmax | 3300.0 | nM | Mus musculus |
| Fu | 0.26 | - | Mus musculus |
| Fu | 0.15 | - | Mus musculus |
| T1/2 | 4.8 | hr | Mus musculus |
| T1/2 | 0.7 | hr | Mus musculus |
| Tmax | 2.0 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 30.0 | nM | 7.52 | Antitrypanosomal activity against Trypanosoma brucei brucei BSF427 VSG118 bloods... | 26418485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Mus musculus | 8 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Trypanosoma brucei brucei | 7 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Unchecked | 3 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Liver microsome | 2 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | MRC5 | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Liver | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | NON-PROTEIN TARGET | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | No relevant target | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Plasma | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Brain | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Dopamine receptor | 1 |
| - | 10.6019/CHEMBL5305021 | Aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine