Compound Detail
CHEMBL369098
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Basic Information
| ChEMBL ID | CHEMBL369098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCLFVYJVMWCHLK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.9
MW (Da)
4.81
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 9.19 | 9.19 | 0.6 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 6.51 | 6.51 | 311.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.64 | nM | 9.19 | Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex | 15686927 |
| Sodium-dependent dopamine transporter | Ki | = | 4.42 | nM | 8.36 | Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen | 15686927 |
| Norepinephrine transporter | Ki | = | 311.0 | nM | 6.51 | Displacement of [3H]nisoxetine from norepinephrine transporter of rat cerebral c... | 15686927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Monoamine transporters; Norepinephrine & serotonin | 1 |
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Sodium-dependent serotonin transporter | 1 |
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Sodium-dependent dopamine transporter | 1 |
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Norepinephrine transporter | 1 |
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine