Compound Detail
CHEMBL127216
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Basic Information
| ChEMBL ID | CHEMBL127216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYHNIRCDHUTJHD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
3.14
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.71 | 6.71 | 195.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.68 | 6.68 | 208.9 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.85 | 5.85 | 1412.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.802 | nM | 8.42 | Binding affinity at 5-hydroxytryptamine 1A receptor | 7562940 |
| D(2) dopamine receptor | Ki | = | 194.98 | nM | 6.71 | In vitro binding affinity towards Dopamine receptor D2 in rat striatum was deter... | 7562940 |
| Adrenergic receptor alpha-1 | Ki | = | 208.93 | nM | 6.68 | In vitro binding affinity towards Alpha-1 adrenergic receptor in rat cortex was ... | 7562940 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 1412.54 | nM | 5.85 | Binding affinity at 5-hydroxytryptamine 1B receptor | 7562940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562940 | 10.1021/jm00020a020 | Rattus norvegicus | 5 |
| 7562940 | 10.1021/jm00020a020 | 5-hydroxytryptamine receptor 1A | 2 |
| 7562940 | 10.1021/jm00020a020 | Adrenergic receptor alpha-1 | 2 |
| 7562940 | 10.1021/jm00020a020 | D(2) dopamine receptor | 2 |
| 7562940 | 10.1021/jm00020a020 | 5-hydroxytryptamine receptor 1B | 1 |
| 7562940 | 10.1021/jm00020a020 | Unchecked | 1 |
| 7562940 | 10.1021/jm00020a020 | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine