Compound Detail
CHEMBL368413
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Basic Information
| ChEMBL ID | CHEMBL368413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLILMEKKDFAGIW-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.57
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Dopamine receptor CHEMBL2093868 | Ki | 6.82 | 6.75 | 150.0 | 2 |
| Alpha-2A adrenergic receptor CHEMBL4744 | Ki | 6.14 | 6.14 | 730.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.87 | 5.87 | 1360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor | Ki | = | 25.0 | nM | 7.6 | Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of r... | 6134835 |
| Muscarinic acetylcholine receptor | Ki | = | 49.0 | nM | 7.31 | Displacement of [3H]- QNB binding at the muscarinic-cholinergic binding site of ... | 6134835 |
| Alpha-1A adrenergic receptor | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic bin... | 6134835 |
| Dopamine receptor | Ki | = | 150.0 | nM | 6.82 | Displacement of [3H]- apomorphine radioligand binding at the dopamine binding si... | 6134835 |
| Dopamine receptor | Ki | = | 210.0 | nM | 6.68 | Displacement of [3H]- spiperone radioligand binding at the dopamine binding site... | 6134835 |
| Alpha-2A adrenergic receptor | Ki | = | 730.0 | nM | 6.14 | Displacement of [3H]- clonidine radioligand binding at the alpha-2 adrenergic re... | 6134835 |
| Unchecked | Ki | = | 1360.0 | nM | 5.87 | Displacement of [3H]5-HT radioligand binding at the serotonin 1 and 2 binding si... | 6134835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6134835 | 10.1021/jm00361a008 | Dopamine receptor | 2 |
| 6134835 | 10.1021/jm00361a008 | Alpha-1A adrenergic receptor | 1 |
| 6134835 | 10.1021/jm00361a008 | Alpha-2A adrenergic receptor | 1 |
| 6134835 | 10.1021/jm00361a008 | Serotonin 1 (5-HT1) receptor | 1 |
| 6134835 | 10.1021/jm00361a008 | Unchecked | 1 |
| 6134835 | 10.1021/jm00361a008 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine