Compound Detail
CHEMBL607198
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Basic Information
| ChEMBL ID | CHEMBL607198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFYQZRCMOMKICY-VOFREWHGSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.01
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.01 | 7.3 | 9.8 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 9.84 | nM | 8.01 | Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to ... | 8071935 |
| Sodium-dependent dopamine transporter | IC50 | = | 24.8 | nM | 7.61 | Affinity against cocaine binding site of dopamine transporter in rat striatum us... | 1895292 |
| Sodium-dependent dopamine transporter | IC50 | = | 24.8 | nM | 7.61 | Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal ... | 1588560 |
| Sodium-dependent dopamine transporter | IC50 | = | 25.0 | nM | 7.6 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 192.0 | nM | 6.72 | Inhibition of [3H]cocaine binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 557.0 | nM | 6.25 | Inhibition of dopamine uptake at dopamine transporter. | 1552510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552510 | 10.1021/jm00084a001 | Sodium-dependent dopamine transporter | 3 |
| 1895292 | 10.1021/jm00113a008 | Sodium-dependent dopamine transporter | 1 |
| 8071935 | 10.1021/jm00044a007 | Sodium-dependent dopamine transporter | 1 |
| 1588560 | 10.1021/jm00088a017 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine