Compound Detail
CHEMBL2440659
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 | CHEMBL2440659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXVLPJHYYFHCHK-UHFFFAOYSA-N |
5
Targets
12
Activities
2
Assay Types
26
PK Parameters
20
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
3.43
ALogP
6
HBA
1
HBD
77.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.64
Ki 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 8.17 | 8.17 | 6.8 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 7.64 | 7.51 | 23.0 | 3 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 7.62 | 7.616 | 24.0 | 5 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.67 | 5.67 | 2144.6 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.52 | 5.52 | 2989.9 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 696.0 | ng.hr/g | Mus musculus |
| AUC | 702.0 | ng.hr.mL-1 | Mus musculus |
| CL | 25.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 54.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 16.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 96.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 43.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 34.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 37.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 194.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 24.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 1.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 43.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 24.0 | mL.min-1.kg-1 | Macaca fascicularis |
| Cmax | 1350.0 | ng/g | Mus musculus |
| Cmax | 4389.42 | nM | Mus musculus |
| F | 5.0 | % | Rattus norvegicus |
| Fu | 38.0 | nM | Mus musculus |
| Fu | 335.0 | nM | Mus musculus |
| Fu | 0.082 | - | Mus musculus |
| T1/2 | 0.25 | hr | Rattus norvegicus |
| Tmax | 0.25 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine