Compound Detail
CHEMBL1773301
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Basic Information
| ChEMBL ID | CHEMBL1773301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVJJWTNIJPGFIV-ZCYQVOJMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
5.16
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.89 | 7.89 | 12.9 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.8 | 7.8 | 15.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.53 | 7.53 | 29.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 12.9 | nM | 7.89 | Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation | 21446715 |
| Sodium-dependent dopamine transporter | Ki | = | 15.9 | nM | 7.8 | Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation | 21446715 |
| Unchecked | Ki | = | 29.3 | nM | 7.53 | Inhibition of NET in rat cerebral cortex assessed as [3H]norepinephrine accumula... | 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