Compound Detail
CHEMBL2112372
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2112372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HITOPRXUEPZWGG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL92240 |
| Active Moiety | CHEMBL92240 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
473.1
MW (Da)
4.66
ALogP
4
HBA
1
HBD
22.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 9.12 | 8.4 | 0.8 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.48 | 6.895 | 33.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.17 | 6.815 | 67.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 0.75 | nM | 9.12 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortic... | 8410990 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 21.0 | nM | 7.68 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortic... | 8410990 |
| D(2) dopamine receptor | IC50 | = | 33.0 | nM | 7.48 | Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membran... | 8410990 |
| Adrenergic receptor alpha-1 | IC50 | = | 67.0 | nM | 7.17 | Displacement of [3H]prazosin from alpha-1 adrenoceptors in whole rat brain membr... | 8410990 |
| Adrenergic receptor alpha-1 | IC50 | = | 350.0 | nM | 6.46 | Displacement of [3H]prazosin from alpha-1 adrenoceptors in whole rat brain membr... | 8410990 |
| D(2) dopamine receptor | IC50 | = | 490.0 | nM | 6.31 | Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membran... | 8410990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410990 | 10.1021/jm00071a007 | Rattus norvegicus | 3 |
| 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 |
Data from ChEMBL 36 via Core Engine