Compound Detail
CHEMBL1204306
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Basic Information
| ChEMBL ID | CHEMBL1204306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISURRERGIGKGPT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL320684 |
| Active Moiety | CHEMBL320684 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.15
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 7.92 | 7.11 | 12.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.14 | 6.55 | 72.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.48 | 5.57 | 330.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 12.0 | nM | 7.92 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortic... | 8410990 |
| Adrenergic receptor alpha-1 | IC50 | = | 72.0 | nM | 7.14 | Displacement of [3H]prazosin from alpha-1 adrenoceptors in whole rat brain membr... | 8410990 |
| D(2) dopamine receptor | IC50 | = | 330.0 | nM | 6.48 | Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membran... | 8410990 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 500.0 | nM | 6.3 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortic... | 8410990 |
| Adrenergic receptor alpha-1 | IC50 | = | 1100.0 | nM | 5.96 | Displacement of [3H]prazosin from alpha-1 adrenoceptors in whole rat brain membr... | 8410990 |
| D(2) dopamine receptor | IC50 | = | 22000.0 | nM | 4.66 | Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membran... | 8410990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410990 | 10.1021/jm00071a007 | Serotonin 2 (5-HT2) receptor | 2 |
| 8410990 | 10.1021/jm00071a007 | D(2) dopamine receptor | 2 |
| 8410990 | 10.1021/jm00071a007 | Adrenergic receptor alpha-1 | 2 |
| 8410990 | 10.1021/jm00071a007 | Rattus norvegicus | 2 |
| 6134833 | 10.1021/jm00361a002 | Rattus norvegicus | 2 |
| 6134833 | 10.1021/jm00361a002 | Mus musculus | 1 |
| 6134833 | 10.1021/jm00361a002 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine