Compound Detail
CHEMBL425134
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Basic Information
| ChEMBL ID | CHEMBL425134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCKQMQMMZHMRFM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
3.49
ALogP
5
HBA
1
HBD
37.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.39 | 7.39 | 40.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.71 | 5.71 | 1960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 40.3 | nM | 7.39 | In vitro binding affinity measured on serotonin 5-hydroxytryptamine 1A receptor ... | 7699710 |
| D(2) dopamine receptor | IC50 | = | 1200.0 | nM | 5.92 | The compound was evaluated for the binding affinity towards Dopamine receptor D2... | 7699710 |
| Adrenergic receptor alpha-1 | IC50 | = | 1960.0 | nM | 5.71 | In vitro binding affinity measured on alpha-1 adrenergic receptor using [3H]praz... | 7699710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699710 | 10.1021/jm00006a013 | 5-hydroxytryptamine receptor 1A | 1 |
| 7699710 | 10.1021/jm00006a013 | Serotonin 2 (5-HT2) receptor | 1 |
| 7699710 | 10.1021/jm00006a013 | D(2) dopamine receptor | 1 |
| 7699710 | 10.1021/jm00006a013 | Adrenergic receptor alpha-1 | 1 |
| 7699710 | 10.1021/jm00006a013 | Sigma non-opioid intracellular receptor 1 | 1 |
| 7699710 | 10.1021/jm00006a013 | Dopamine D2 receptor and serotonin 1a receptor | 1 |
| 7699710 | 10.1021/jm00006a013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine