Compound Detail
CHEMBL125511
8R-hydroxylobelane Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL125511 |
| Name | 8R-hydroxylobelane |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUSFCRGEWKAWEE-BHDDXSALSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
4.60
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 5.92 | 5.92 | 1210.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.73 | 5.73 | 1880.0 | 1 |
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 5.7 | 5.7 | 1980.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 5.63 | 5.63 | 2360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 150.0 | nM | 6.82 | Inhibition of [3H]5-HT uptake at SERT in rat hippocampal synaptosomes | 16905316 |
| Neuronal acetylcholine receptor | Ki | = | 340.0 | nM | 6.47 | Evaluated for its binding affinity towards Nicotinic acetylcholine receptor in r... | 10479304 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 1210.0 | nM | 5.92 | Inhibition of [3H]MLA binding to alpha-7 nAChR in rat brain membrane | 16905316 |
| Sodium-dependent dopamine transporter | Ki | = | 1880.0 | nM | 5.73 | Inhibition of [3H]DA uptake at DAT in rat striatal synaptosomes | 16905316 |
| Synaptic vesicular amine transporter | Ki | = | 1980.0 | nM | 5.7 | Inhibition of [3H]DTBZ binding to VMAT2 in rat synaptic vesicle membrane | 16905316 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 2360.0 | nM | 5.63 | Inhibition of [3H]NIC binding to alpha-4-beta-2 nAChR in rat brain membrane | 16905316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479304 | 10.1021/jm990286m | Neuronal acetylcholine receptor | 1 |
| 16905316 | 10.1016/j.bmcl.2006.07.070 | Synaptic vesicular amine transporter | 1 |
| 16905316 | 10.1016/j.bmcl.2006.07.070 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16905316 | 10.1016/j.bmcl.2006.07.070 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 16905316 | 10.1016/j.bmcl.2006.07.070 | Sodium-dependent dopamine transporter | 1 |
| 16905316 | 10.1016/j.bmcl.2006.07.070 | Sodium-dependent serotonin transporter | 1 |
| 16905316 | 10.1016/j.bmcl.2006.07.070 | Monoamine transporters; serotonin & dopamine | 1 |
| 16905316 | 10.1016/j.bmcl.2006.07.070 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine