Compound Detail
CHEMBL28225
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Basic Information
| ChEMBL ID | CHEMBL28225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWNNQQDQXAMXMK-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
0.69
ALogP
4
HBA
4
HBD
86.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas.
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 16.0 | nM | 7.8 | Evaluated for the Competitive inhibition of uptake of dopamine transporter | 7562944 |
| Norepinephrine transporter | Ki | = | 26.0 | nM | 7.58 | Evaluated for the Competitive inhibition of uptake of norepinephrine | 7562944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562944 | 10.1021/jm00020a024 | Mus musculus | 3 |
| 7562944 | 10.1021/jm00020a024 | Rattus norvegicus | 2 |
| 7562944 | 10.1021/jm00020a024 | Norepinephrine transporter | 1 |
| 7562944 | 10.1021/jm00020a024 | Sodium-dependent dopamine transporter | 1 |
| 7452683 | 10.1021/jm00186a007 | Mus musculus | 1 |
| 533879 | 10.1021/jm00197a008 | Rattus norvegicus | 1 |
| 16133 | 10.1021/jm00215a011 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine