Compound Detail
CHEMBL292187
ELOPIPRAZOLE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL292187 |
| Name | ELOPIPRAZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PGNHBJGIQAEIHD-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
4
Known Names
Molecular Properties
375.4
MW (Da)
4.89
ALogP
3
HBA
1
HBD
35.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 5 meas. best 9.38
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 9.35 | 9.35 | 0.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.42 | nM | 9.38 | Binding affinity for dopamine receptor D2 determined using [3H]spiperone | 11527728 |
| D(2) dopamine receptor | Ki | = | 0.45 | nM | 9.35 | Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum | 2902226 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.5 | nM | 8.82 | Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]8-OH-D... | 11527728 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 120.0 | nM | 6.92 | Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat s... | 2902226 |
| Adrenergic receptor alpha-1 | Ki | = | 220.0 | nM | 6.66 | Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striat... | 2902226 |
| SARS-CoV-2 | EC50 | = | 1100.0 | nM | 5.96 | Determination of antiviral efficacy in high-content imaging assay in Vero E6 cel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2902226 | 10.1021/jm00118a011 | Rattus norvegicus | 3 |
| 2902226 | 10.1021/jm00118a011 | D(2) dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Unchecked | 1 |
| 2902226 | 10.1021/jm00118a011 | Adrenergic receptor alpha-1 | 1 |
| 2902226 | 10.1021/jm00118a011 | Serotonin 2 (5-HT2) receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Mus musculus | 1 |
| 11527728 | 10.1016/s0960-894x(01)00425-5 | D(2) dopamine receptor | 1 |
| 11527728 | 10.1016/s0960-894x(01)00425-5 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1101/2020.04.16.044016 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine