Compound Detail
CHEMBL317444
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Basic Information
| ChEMBL ID | CHEMBL317444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFMYYNPBZLJDKB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
463.3
MW (Da)
4.10
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.88 | 7.88 | 13.3 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 6.14 | 6.14 | 723.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 8.71 | nM | 8.06 | Ability to displace [3H]- beta-CIT from Dopamine transporter in rat striatal hom... | 11714608 |
| Sodium-dependent serotonin transporter | Ki | = | 13.3 | nM | 7.88 | Ability to displace [3H]- paroxetine from Serotonin transporter in rat cerebral ... | 11714608 |
| Norepinephrine transporter | Ki | = | 723.0 | nM | 6.14 | Ability to displace [3H]- nisoxetin from Norepinephrine transporter in rat cereb... | 11714608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11714608 | 10.1016/s0960-894x(01)00626-6 | Sodium-dependent dopamine transporter | 1 |
| 11714608 | 10.1016/s0960-894x(01)00626-6 | Sodium-dependent serotonin transporter | 1 |
| 11714608 | 10.1016/s0960-894x(01)00626-6 | Norepinephrine transporter | 1 |
| 11714608 | 10.1016/s0960-894x(01)00626-6 | Monoamine transporters; serotonin & dopamine | 1 |
| 11714608 | 10.1016/s0960-894x(01)00626-6 | Monoamine transporters; Norepinephrine & dopamine | 1 |
Data from ChEMBL 36 via Core Engine