Compound Detail
CHEMBL55780
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Basic Information
| ChEMBL ID | CHEMBL55780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYJBCVKMYPRGRR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.31
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.86 | 8.86 | 1.4 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 1.39 | nM | 8.86 | In vitro binding affinity for serotonin transporter RB5-HT-T in rat cortical mem... | 11459653 |
| Adrenergic receptor alpha-1 | Ki | = | 58.0 | nM | 7.24 | Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3... | 11459653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459653 | 10.1016/s0960-894x(01)00334-1 | Sodium-dependent serotonin transporter | 1 |
| 11459653 | 10.1016/s0960-894x(01)00334-1 | 5-hydroxytryptamine receptor 1A | 1 |
| 11459653 | 10.1016/s0960-894x(01)00334-1 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine