Compound Detail
CHEMBL422067
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Basic Information
| ChEMBL ID | CHEMBL422067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVMPJMHWCBRDFH-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
374.9
MW (Da)
3.67
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 2.6 | nM | 8.59 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortic... | 8410990 |
| D(1A) dopamine receptor | IC50 | = | 8.3 | nM | 8.08 | The compound was tested for the binding affinity against Dopamine receptor D1 ac... | 7473566 |
| D(2) dopamine receptor | IC50 | = | 20.0 | nM | 7.7 | Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membran... | 8410990 |
| D(2) dopamine receptor | IC50 | = | 20.0 | nM | 7.7 | Binding affinity against dopamine receptor D2 | 7473566 |
| Adrenergic receptor alpha-1 | IC50 | = | 26.0 | nM | 7.58 | Displacement of [3H]prazosin from alpha-1 adrenoceptors in whole rat brain membr... | 8410990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410990 | 10.1021/jm00071a007 | Serotonin 2 (5-HT2) receptor | 1 |
| 8410990 | 10.1021/jm00071a007 | D(2) dopamine receptor | 1 |
| 8410990 | 10.1021/jm00071a007 | Adrenergic receptor alpha-1 | 1 |
| 8410990 | 10.1021/jm00071a007 | Rattus norvegicus | 1 |
| 7473566 | 10.1021/jm00022a004 | D(1A) dopamine receptor | 1 |
| 7473566 | 10.1021/jm00022a004 | D(2) dopamine receptor | 1 |
| 7473566 | 10.1021/jm00022a004 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine