Compound Detail
CHEMBL1773305
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Basic Information
| ChEMBL ID | CHEMBL1773305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZCVSAPFDLKDPA-GVAUOCQISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.83
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.97 | 6.97 | 106.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.65 | 6.65 | 222.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.08 | 6.08 | 825.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 106.0 | nM | 6.97 | Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation | 21446715 |
| Unchecked | Ki | = | 222.0 | nM | 6.65 | Inhibition of NET in rat cerebral cortex assessed as [3H]norepinephrine accumula... | 21446715 |
| Sodium-dependent serotonin transporter | Ki | = | 825.0 | nM | 6.08 | Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation | 21446715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21446715 | 10.1021/jm200020a | Unchecked | 4 |
| 21446715 | 10.1021/jm200020a | Sodium-dependent dopamine transporter | 1 |
| 21446715 | 10.1021/jm200020a | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine