Compound Detail
CHEMBL109877
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Basic Information
| ChEMBL ID | CHEMBL109877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIQWXIJCKNFULQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
3.31
ALogP
5
HBA
0
HBD
49.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.56 | 6.56 | 277.0 | 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 2A | Ki | = | 277.0 | nM | 6.56 | The binding affinity at 5-hydroxytryptamine 2A receptor was determined using [3H... | 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 | D(2) dopamine receptor | 1 |
| 12109911 | 10.1021/jm010566d | D(3) dopamine receptor | 1 |
| 12109911 | 10.1021/jm010566d | D(4) dopamine receptor | 1 |
| 12109911 | 10.1021/jm010566d | 5-hydroxytryptamine receptor 1A | 1 |
| 12109911 | 10.1021/jm010566d | 5-hydroxytryptamine receptor 1D | 1 |
| 12109911 | 10.1021/jm010566d | 5-hydroxytryptamine receptor 2A | 1 |
| 12109911 | 10.1021/jm010566d | 5-hydroxytryptamine receptor 2C | 1 |
| 12109911 | 10.1021/jm010566d | Serotonin 3 (5-HT3) receptor | 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 |
| 12109911 | 10.1021/jm010566d | Serotonin 2 (5-HT2) receptor | 1 |
| 12109911 | 10.1021/jm010566d | Norepinephrine transporter | 1 |
| 12109911 | 10.1021/jm010566d | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine