Compound Detail
CHEMBL190691
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Basic Information
| ChEMBL ID | CHEMBL190691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTCQCWGLSGOPNV-HNRBIFIRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
407.6
MW (Da)
7.41
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL1893 | Ki | 6.2 | 6.2 | 630.0 | 1 |
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 630.0 | nM | 6.2 | Inhibition of 5 nM [3H]DTBZ binding to Vesicular Monoamine Transporter (VAMT2) o... | 16107155 |
| Synaptic vesicular amine transporter | Ki | = | 630.0 | nM | 6.2 | Binding affinity to VMAT2 receptor | 20036131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107155 | 10.1021/jm0501228 | Unchecked | 2 |
| 16107155 | 10.1021/jm0501228 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16107155 | 10.1021/jm0501228 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 16107155 | 10.1021/jm0501228 | Synaptic vesicular amine transporter | 1 |
| 20036131 | 10.1016/j.bmc.2009.12.002 | Synaptic vesicular amine transporter | 1 |
Data from ChEMBL 36 via Core Engine