Compound Detail
CHEMBL14239
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Basic Information
| ChEMBL ID | CHEMBL14239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNRVWDFBQJATNK-XGWLTEMNSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
2.14
ALogP
3
HBA
3
HBD
60.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 80.0 | nM | 7.1 | Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal co... | 9871719 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 240.0 | nM | 6.62 | Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippoc... | 9871719 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 310.0 | nM | 6.51 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre fr... | 9871719 |
| D(2) dopamine receptor | IC50 | = | 730.0 | nM | 6.14 | Displacement of [3H]spiroperidol from D2 receptor in rat striatum | 9871719 |
| D(1A) dopamine receptor | IC50 | = | 1230.0 | nM | 5.91 | Displacement of [3H]SCH-23390 from D1 receptor in rat striatum | 9871719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871719 | 10.1016/s0960-894x(98)00166-8 | Adrenergic receptor alpha-1 | 1 |
| 9871719 | 10.1016/s0960-894x(98)00166-8 | Adrenergic receptor alpha-2 | 1 |
| 9871719 | 10.1016/s0960-894x(98)00166-8 | D(1A) dopamine receptor | 1 |
| 9871719 | 10.1016/s0960-894x(98)00166-8 | D(2) dopamine receptor | 1 |
| 9871719 | 10.1016/s0960-894x(98)00166-8 | 5-hydroxytryptamine receptor 1A | 1 |
| 9871719 | 10.1016/s0960-894x(98)00166-8 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine