Compound Detail
CHEMBL111760
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Basic Information
| ChEMBL ID | CHEMBL111760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQMJKOKDIZUSHW-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
407.6
MW (Da)
3.44
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 6.73 | 6.73 | 186.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 6.46 | 6.46 | 349.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.11 | 6.11 | 783.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 19.0 | nM | 7.72 | Binding affinity against Alpha-1 adrenergic receptor in rat brain membrane using... | 8759642 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 63.0 | nM | 7.2 | Binding affinity against serotonin 5-hydroxytryptamine 1A receptor in rat hippoc... | 8759642 |
| Adrenergic receptor alpha-2 | IC50 | = | 186.0 | nM | 6.73 | Binding affinity against Alpha-2 adrenergic receptor in rat brain membrane using... | 8759642 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 349.0 | nM | 6.46 | Binding affinity against 5-hydroxytryptamine 2 receptor in rat brain using [3H]k... | 8759642 |
| D(2) dopamine receptor | IC50 | = | 783.0 | nM | 6.11 | Binding affinity against Dopamine receptor D2 in rat striatal membrane using [3H... | 8759642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8759642 | 10.1021/jm960087s | Unchecked | 3 |
| 8759642 | 10.1021/jm960087s | 5-hydroxytryptamine receptor 1A | 1 |
| 8759642 | 10.1021/jm960087s | Serotonin 2 (5-HT2) receptor | 1 |
| 8759642 | 10.1021/jm960087s | D(2) dopamine receptor | 1 |
| 8759642 | 10.1021/jm960087s | Adrenergic receptor alpha-1 | 1 |
| 8759642 | 10.1021/jm960087s | Adrenergic receptor alpha-2 | 1 |
| 8759642 | 10.1021/jm960087s | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine