Compound Detail
CHEMBL119605
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Basic Information
| ChEMBL ID | CHEMBL119605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHWRJCBZOCBFBD-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.35
ALogP
5
HBA
2
HBD
50.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.58 | 6.58 | 266.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.04 | 6.04 | 920.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.55 | 5.55 | 2814.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 266.0 | nM | 6.58 | Ability to inhibit [3H]paroxetine binding to cloned human serotonin (5-HT) trans... | 15177457 |
| Sodium-dependent noradrenaline transporter | Ki | = | 920.0 | nM | 6.04 | Ability to inhibit [3H]nisoxetine binding to cloned human norepinephrine (NE) tr... | 15177457 |
| Sodium-dependent dopamine transporter | Ki | = | 2814.0 | nM | 5.55 | Ability to inhibit [3H]mazindol binding to cloned human dopamine (DA) transporte... | 15177457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177457 | 10.1016/j.bmcl.2004.04.066 | Sodium-dependent serotonin transporter | 1 |
| 15177457 | 10.1016/j.bmcl.2004.04.066 | Sodium-dependent noradrenaline transporter | 1 |
| 15177457 | 10.1016/j.bmcl.2004.04.066 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine