Compound Detail
CHEMBL178803
BLONANSERIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL178803 |
| Name | BLONANSERIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XVGOZDAJGBALKS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
5
Known Names
1
Indications
3
Mechanisms
Molecular Properties
367.5
MW (Da)
4.69
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2008 |
| Availability | Unknown |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin 2a (5-HT2a) receptor antagonist | ANTAGONIST | 5-hydroxytryptamine receptor 2A | ✓ | ✓ |
| Dopamine D2 receptor antagonist | ANTAGONIST | D(2) dopamine receptor | ✓ | ✓ |
| Dopamine D3 receptor antagonist | ANTAGONIST | D(3) dopamine receptor | ✓ | ✓ |
Indications
Schizophrenia
Activity Summary
Ki 2 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 9.85 | 9.85 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.09 | 9.09 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.14 | nM | 9.85 | In vitro binding affinity against recombinant human dopamine receptor D2L in hum... | 15686911 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.81 | nM | 9.09 | In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A recep... | 15686911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 15686911 | 10.1016/j.bmcl.2004.12.028 | D(2) dopamine receptor | 1 |
| 15686911 | 10.1016/j.bmcl.2004.12.028 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine