Compound Detail
CHEMBL115370
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Basic Information
| ChEMBL ID | CHEMBL115370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQMYUXBUDXDYTQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
5.41
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.43 | 6.43 | 368.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.3 | 6.3 | 499.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 48.0 | nM | 7.32 | Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacem... | 15189035 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 368.0 | nM | 6.43 | Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displ... | 15189035 |
| Sodium-dependent serotonin transporter | Ki | = | 499.0 | nM | 6.3 | Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displa... | 15189035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15189035 | 10.1021/jm030646c | Sodium-dependent dopamine transporter | 1 |
| 15189035 | 10.1021/jm030646c | Sodium-dependent serotonin transporter | 1 |
| 15189035 | 10.1021/jm030646c | Norepinephrine transporter | 1 |
| 15189035 | 10.1021/jm030646c | Muscarinic acetylcholine receptor M1 | 1 |
| 15189035 | 10.1021/jm030646c | Rattus norvegicus | 1 |
| 15189035 | 10.1021/jm030646c | Monoamine transporters; serotonin & dopamine | 1 |
| 15189035 | 10.1021/jm030646c | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 15189035 | 10.1021/jm030646c | Unchecked | 1 |
| 15189035 | 10.1021/jm030646c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine