Compound Detail
CHEMBL136499
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Basic Information
| ChEMBL ID | CHEMBL136499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANHMPRQCQIOCSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
2.89
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.79
Ki 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.79 | 6.79 | 161.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 33.0 | nM | 7.48 | Displacement of [3H]WIN-35428 from dopamine transporter in rat caudate putamen t... | 9435910 |
| Rattus norvegicus | IC50 | = | 161.0 | nM | 6.79 | Compound was evaluated for its ability to inhibit uptake of [3H]-dopamine into r... | 9435910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435910 | 10.1021/jm970549h | Sodium-dependent dopamine transporter | 1 |
| 9435910 | 10.1021/jm970549h | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine