Compound Detail
CHEMBL145275
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Basic Information
| ChEMBL ID | CHEMBL145275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGQXGMLHINGZTD-GXRBRPDZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
2.88
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.95 | 5.95 | 1120.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.76 | 5.76 | 1730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1120.0 | nM | 5.95 | Compound was evaluated for its ability to inhibit high-affinity uptake of [3H]do... | 1469704 |
| Sodium-dependent dopamine transporter | IC50 | = | 1730.0 | nM | 5.76 | Compound was evaluated for its ability to displace [3H]mazindol binding from rat... | 1469704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1469704 | 10.1021/jm00103a015 | Sodium-dependent dopamine transporter | 1 |
| 1469704 | 10.1021/jm00103a015 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine