Compound Detail
CHEMBL334270
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Basic Information
| ChEMBL ID | CHEMBL334270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUHSITNVPGCMRK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
2.79
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 2.0 | nM | 8.7 | The binding affinity at 5-hydroxytryptamine 2C receptor was determined using [3H... | 12109911 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 12.0 | nM | 7.92 | The binding affinity at 5-hydroxytryptamine 2A receptor was determined using [3H... | 12109911 |
| Unchecked | Ki | = | 21.0 | nM | 7.68 | The binding affinity at the Histamine H1 receptor determined using [3H]pyrilamin... | 12109911 |
| Adrenergic receptor alpha-1 | Ki | = | 1000.0 | nM | 6.0 | The binding affinity at Alpha-1 adrenergic receptor determined using [3H]prazosi... | 12109911 |
| Adrenergic receptor alpha-2 | Ki | = | 1000.0 | nM | 6.0 | The binding affinity at the Alpha-2 adrenergic receptor determined using [3H]RX-... | 12109911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109911 | 10.1021/jm010566d | 5-hydroxytryptamine receptor 2A | 1 |
| 12109911 | 10.1021/jm010566d | 5-hydroxytryptamine receptor 2C | 1 |
| 12109911 | 10.1021/jm010566d | Adrenergic receptor alpha-1 | 1 |
| 12109911 | 10.1021/jm010566d | Adrenergic receptor alpha-2 | 1 |
| 12109911 | 10.1021/jm010566d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine