Compound Detail
CHEMBL82591
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Basic Information
| ChEMBL ID | CHEMBL82591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAUNACXRZSWWJT-JOCHJYFZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.52
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 25.0 | nM | 7.6 | Binding affinity of [3H]spiperone towards Dopamine receptor D4 expressed in cult... | 8691438 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 30.0 | nM | 7.52 | Binding affinity of [3H]ketanserin towards 5-hydroxytryptamine 2 receptor in clo... | 8691438 |
| D(3) dopamine receptor | Ki | = | 220.0 | nM | 6.66 | Binding affinity of [3H]spiperone towards Dopamine receptor D3 in cloned mammali... | 8691438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691438 | 10.1021/jm960084f | D(1A) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | D(2) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | D(3) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | D(4) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | 5-hydroxytryptamine receptor 1A | 1 |
| 8691438 | 10.1021/jm960084f | Serotonin 2 (5-HT2) receptor | 1 |
| 8691438 | 10.1021/jm960084f | Adrenergic receptor alpha-1 | 1 |
| 8691438 | 10.1021/jm960084f | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine