Compound Detail
CHEMBL101819
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Basic Information
| ChEMBL ID | CHEMBL101819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYTDHZGUZZGEPM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.04
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.86 | 5.86 | 1380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 130.0 | nM | 6.89 | Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes | 1976813 |
| Alpha-1A adrenergic receptor | IC50 | = | 700.0 | nM | 6.16 | Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain | 1976813 |
| Norepinephrine transporter | IC50 | = | 1380.0 | nM | 5.86 | Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosome... | 1976813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1976813 | 10.1021/jm00172a035 | Alpha-1A adrenergic receptor | 1 |
| 1976813 | 10.1021/jm00172a035 | Norepinephrine transporter | 1 |
| 1976813 | 10.1021/jm00172a035 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine