Compound Detail
CHEMBL116431
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Basic Information
| ChEMBL ID | CHEMBL116431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLOLSIOUOOBUTD-FMIVXFBMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
4.52
ALogP
5
HBA
0
HBD
29.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 7.01 | 7.01 | 98.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.53 | 6.53 | 298.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 48.0 | nM | 7.32 | Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of ... | 14505672 |
| Norepinephrine transporter | Ki | = | 98.0 | nM | 7.01 | Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transpo... | 14505672 |
| Sodium-dependent dopamine transporter | Ki | = | 298.0 | nM | 6.53 | Ability to inhibit reuptake of dopamine ([3H]DA) at dopamine transporter of rat ... | 14505672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505672 | 10.1016/s0960-894x(03)00786-8 | Unchecked | 3 |
| 14505672 | 10.1016/s0960-894x(03)00786-8 | Sodium-dependent dopamine transporter | 1 |
| 14505672 | 10.1016/s0960-894x(03)00786-8 | Sodium-dependent serotonin transporter | 1 |
| 14505672 | 10.1016/s0960-894x(03)00786-8 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine