Compound Detail
CHEMBL353829
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Basic Information
| ChEMBL ID | CHEMBL353829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKDYFWAMQQRXLV-YRNVUSSQSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.76
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.69
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.69 | 6.69 | 203.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]WIN-35428 from dopamine transporter (DAT) in Rat Caudate Put... | 9083474 |
| Rattus norvegicus | IC50 | = | 203.0 | nM | 6.69 | Compound was evaluated for inhibition of [3H]- dopamine Uptake in rat caudate - ... | 9083474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083474 | 10.1021/jm960739c | Rattus norvegicus | 2 |
| 9083474 | 10.1021/jm960739c | Mus musculus | 2 |
| 9083474 | 10.1021/jm960739c | No relevant target | 1 |
| 9083474 | 10.1021/jm960739c | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine