Compound Detail
CHEMBL221692
ADOPRAZINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL221692 |
| Name | ADOPRAZINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IUVSEUFHPNITEQ-UHFFFAOYSA-N |
12
Targets
13
Activities
3
Assay Types
0
PK Parameters
20
Publications
3
Known Names
3
Mechanisms
Molecular Properties
405.5
MW (Da)
3.98
ALogP
5
HBA
0
HBD
37.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin 1a (5-HT1a) receptor agonist | AGONIST | 5-hydroxytryptamine receptor 1A | ✓ | ✓ |
| Dopamine D2 receptor antagonist | ANTAGONIST | D(2) dopamine receptor | ✓ | ✓ |
| Dopamine D3 receptor antagonist | ANTAGONIST | D(3) dopamine receptor | ✓ | ✓ |
Activity Summary
Ki 11 meas. best 9.1
EC50 1 meas. best 8.23
IC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 8.23 | 8.23 | 5.9 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.14 | 6.14 | 724.4 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 4.73 | 4.73 | 18590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17300168 | 10.1021/jm061180b | Rattus norvegicus | 6 |
| 17300168 | 10.1021/jm061180b | D(2) dopamine receptor | 4 |
| 17300168 | 10.1021/jm061180b | 5-hydroxytryptamine receptor 1A | 3 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17880057 | 10.1021/jm070516u | 5-hydroxytryptamine receptor 2C | 1 |
| 17880057 | 10.1021/jm070516u | Adrenergic receptor alpha-1 | 1 |
| 17880057 | 10.1021/jm070516u | Muscarinic acetylcholine receptor M4 | 1 |
| 17880057 | 10.1021/jm070516u | Muscarinic acetylcholine receptor M1 | 1 |
| 17880057 | 10.1021/jm070516u | Sodium-dependent serotonin transporter | 1 |
| 17880057 | 10.1021/jm070516u | 5-hydroxytryptamine receptor 7 | 1 |
| 17880057 | 10.1021/jm070516u | 5-hydroxytryptamine receptor 6 | 1 |
| 17880057 | 10.1021/jm070516u | Serotonin 3 (5-HT3) receptor | 1 |
| 17880057 | 10.1021/jm070516u | 5-hydroxytryptamine receptor 2B | 1 |
| 17880057 | 10.1021/jm070516u | 5-hydroxytryptamine receptor 2A | 1 |
| 17880057 | 10.1021/jm070516u | 5-hydroxytryptamine receptor 1A | 1 |
| 17880057 | 10.1021/jm070516u | D(4) dopamine receptor | 1 |
| 17880057 | 10.1021/jm070516u | D(3) dopamine receptor | 1 |
| 17880057 | 10.1021/jm070516u | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine