Compound Detail
CHEMBL35040
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Basic Information
| ChEMBL ID | CHEMBL35040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UATKEUZQSUHYAC-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.29
ALogP
5
HBA
1
HBD
48.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) CHEMBL2111406 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.45 | 9.45 | 0.4 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.38 | 8.38 | 4.2 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.19 | 8.19 | 6.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) | Ki | = | 0.35 | nM | 9.46 | Relative binding affinity for D2 receptor and 5-hydroxytryptamine 2A receptor, r... | 8568801 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.3548 | nM | 9.45 | Displacement of [3H]-ketanserin from rat brain 5-hydroxytryptamine 2A receptor | 8568801 |
| D(2) dopamine receptor | Ki | = | 4.169 | nM | 8.38 | Displacement of [3H]NPA from rat brain Dopamine receptor D2 | 8568801 |
| D(2) dopamine receptor | Ki | = | 4.2 | nM | 8.38 | Displacement of [3H]NPA from rat brain Dopamine receptor D2 | 8568801 |
| Adrenergic receptor alpha-1 | Ki | = | 6.457 | nM | 8.19 | Displacement of [3H]prazosin from rat brain Alpha-1 adrenergic receptor | 8568801 |
| Adrenergic receptor alpha-1 | Ki | = | 6.5 | nM | 8.19 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat brain | 8568801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568801 | 10.1021/jm950625l | Rattus norvegicus | 5 |
| 8568801 | 10.1021/jm950625l | Unchecked | 3 |
| 8568801 | 10.1021/jm950625l | D(2) dopamine receptor | 2 |
| 8568801 | 10.1021/jm950625l | 5-hydroxytryptamine receptor 2A | 2 |
| 8568801 | 10.1021/jm950625l | Adrenergic receptor alpha-1 | 2 |
| 8568801 | 10.1021/jm950625l | Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) | 1 |
Data from ChEMBL 36 via Core Engine