Compound Detail
CHEMBL149510
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Basic Information
| ChEMBL ID | CHEMBL149510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPTJNKGXZCFAFQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.98
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.34 | 6.34 | 460.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 29.0 | nM | 7.54 | Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2... | 11784153 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 31.0 | nM | 7.51 | Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine... | 11784153 |
| Adrenergic receptor alpha-1 | Ki | = | 460.0 | nM | 6.34 | Binding affinity for displacement of [3H]prazosin to rat Alpha-1 adrenergic rece... | 11784153 |
| D(2) dopamine receptor | Ki | = | 1100.0 | nM | 5.96 | Binding affinity for displacement of [3H]spiperone to human dopamine D2 (hD2) re... | 11784153 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1500.0 | nM | 5.82 | Binding affinity for displacement of [3H]mesulergine to human 5-hydroxytryptamin... | 11784153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784153 | 10.1021/jm011030v | 5-hydroxytryptamine receptor 2A | 2 |
| 11784153 | 10.1021/jm011030v | 5-hydroxytryptamine receptor 2C | 1 |
| 11784153 | 10.1021/jm011030v | D(2) dopamine receptor | 1 |
| 11784153 | 10.1021/jm011030v | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine