Compound Detail
CHEMBL59047
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Basic Information
| ChEMBL ID | CHEMBL59047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFQGECOOEGPNDP-CVVJEMIOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
6.57
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.61 | 6.61 | 245.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.68 | 5.68 | 2110.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.55 | 5.55 | 2790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 245.0 | nM | 6.61 | Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending ... | 11960503 |
| Sodium-dependent dopamine transporter | Ki | = | 2110.0 | nM | 5.68 | Ability to inhibit high affinity reuptake of [3H]DA from dopamine transporter in... | 11960503 |
| Norepinephrine transporter | Ki | = | 2790.0 | nM | 5.55 | Ability to inhibit high affinity reuptake of [3H]-NE (Norepinephrine transporter... | 11960503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960503 | 10.1021/jm0105373 | Unchecked | 3 |
| 11960503 | 10.1021/jm0105373 | Sodium-dependent dopamine transporter | 1 |
| 11960503 | 10.1021/jm0105373 | Sodium-dependent serotonin transporter | 1 |
| 11960503 | 10.1021/jm0105373 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine