Compound Detail
CHEMBL149971
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Basic Information
| ChEMBL ID | CHEMBL149971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMHUEYFGJWFVND-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.71
ALogP
4
HBA
1
HBD
64.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 9.22 | 8.5533 | 0.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.6 | nM | 9.22 | Binding affinity to the serotonin transporter (SERT) measured by displacement of... | 14640559 |
| Sodium-dependent serotonin transporter | Ki | = | 2.4 | nM | 8.62 | Binding affinity to the serotonin transporter (SERT) measured by displacement of... | 14640559 |
| Sodium-dependent serotonin transporter | Ki | = | 15.1 | nM | 7.82 | Binding affinity to the serotonin transporter (SERT) measured by displacement of... | 14640559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640559 | 10.1021/jm0309349 | 5-hydroxytryptamine receptor 1A | 3 |
| 14640559 | 10.1021/jm0309349 | 5-hydroxytryptamine receptor 2A | 3 |
| 14640559 | 10.1021/jm0309349 | Sodium-dependent serotonin transporter | 3 |
| 14640559 | 10.1021/jm0309349 | Norepinephrine transporter | 2 |
| 14640559 | 10.1021/jm0309349 | Sodium-dependent dopamine transporter | 2 |
Data from ChEMBL 36 via Core Engine