Compound Detail
CHEMBL61636
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 | CHEMBL61636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKJIEFSOBYUXJB-GDBMZVCRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.24
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 8.35 | 8.22 | 4.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 4.47 | nM | 8.35 | Displacement of [3H]DHTBZ from Sprague-Dawley rat striatum VMAT2 after 1 hr by l... | 21396745 |
| Synaptic vesicular amine transporter | Ki | = | 8.1 | nM | 8.09 | In vitro inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular... | 8568807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568807 | 10.1021/jm950117b | Mus musculus | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 8568807 | 10.1021/jm950117b | Synaptic vesicular amine transporter | 1 |
| 21396745 | 10.1016/j.ejmech.2011.02.046 | Synaptic vesicular amine transporter | 1 |
Data from ChEMBL 36 via Core Engine