Compound Detail
CHEMBL58485
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Basic Information
| ChEMBL ID | CHEMBL58485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVOOTZXSASFQRD-GZTJUZNOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.88
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 6.8 | 6.8 | 157.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.13 | 6.13 | 735.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 21.0 | nM | 7.68 | Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending ... | 11960503 |
| Norepinephrine transporter | Ki | = | 157.0 | nM | 6.8 | Ability to inhibit high affinity reuptake of [3H]-NE (Norepinephrine transporter... | 11960503 |
| Sodium-dependent dopamine transporter | Ki | = | 735.0 | nM | 6.13 | Ability to inhibit high affinity reuptake of [3H]DA from dopamine transporter in... | 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