Compound Detail
CHEMBL191947
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Basic Information
| ChEMBL ID | CHEMBL191947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISVBJSRQEBWKPB-VXKWHMMOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.5
MW (Da)
5.10
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.72
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 5.68 | 5.38 | 2110.0 | 3 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 4.6 | 4.6 | 25300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 2110.0 | nM | 5.68 | Inhibition of [3H]dopamine uptake at VMAT2 in rat brain synaptic vesicle by liqu... | 19691331 |
| Synaptic vesicular amine transporter | Ki | = | 5320.0 | nM | 5.27 | Inhibition of 5 nM [3H]DTBZ binding to Vesicular Monoamine Transporter (VAMT2) o... | 16107155 |
| Synaptic vesicular amine transporter | Ki | = | 6460.0 | nM | 5.19 | Displacement of [3H]DTBZ from VMAT2 dihydrotetrabenazine binding site in rat bra... | 19691331 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 25300.0 | nM | 4.6 | Inhibition of 3 nM [3H]-MLA binding to Nicotinic acetylcholine receptor alpha7 o... | 16107155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19691331 | 10.1021/jm900770h | Synaptic vesicular amine transporter | 3 |
| 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 |
Data from ChEMBL 36 via Core Engine