Compound Detail
CHEMBL216990
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Basic Information
| ChEMBL ID | CHEMBL216990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTEKMJCKVNQZRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
5.12
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.63 | 7.63 | 23.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 23.4 | nM | 7.63 | Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat brain | 17034144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034144 | 10.1021/jm060762q | Sodium-dependent dopamine transporter | 2 |
| 17034144 | 10.1021/jm060762q | Sodium-dependent serotonin transporter | 1 |
| 17034144 | 10.1021/jm060762q | Norepinephrine transporter | 1 |
| 17034144 | 10.1021/jm060762q | Muscarinic acetylcholine receptor M1 | 1 |
| 17034144 | 10.1021/jm060762q | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine