Compound Detail
CHEMBL2105760
BREXPIPRAZOLE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL2105760 |
| Name | BREXPIPRAZOLE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | ZKIAIYBUSXZPLP-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
36
Targets
51
Activities
3
Assay Types
2
PK Parameters
20
Publications
5
Known Names
14
Indications
3
Mechanisms
Molecular Properties
433.6
MW (Da)
4.72
ALogP
5
HBA
1
HBD
48.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dopamine D2 receptor partial agonist | PARTIAL AGONIST | D(2) dopamine receptor | ✓ | ✓ |
| Serotonin 1a (5-HT1a) receptor partial agonist | PARTIAL AGONIST | 5-hydroxytryptamine receptor 1A | ✓ | ✓ |
| Serotonin 2a (5-HT2a) receptor antagonist | ANTAGONIST | 5-hydroxytryptamine receptor 2A | ✓ | ✓ |
Indications
Depressive Disorder, Major Psychotic Disorders Psychotic Disorders Schizophrenia Alzheimer Disease Bipolar Disorder Bipolar Disorder Depressive Disorder Mental Disorders Psychomotor Agitation Sleep Wake Disorders Stress Disorders, Post-Traumatic Alcoholism Borderline Personality Disorder
ATC Classification
N05AX16
brexpiprazole
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Drug Warnings
Black Box Warning
psychiatric toxicity
Activity Summary
Ki 44 meas. best 10.05
EC50 5 meas. best 8.2
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 10.05 | 10.05 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.92 | 9.1567 | 0.1 | 3 |
| D(2) dopamine receptor CHEMBL339 | Ki | 9.7 | 9.06 | 0.2 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.52 | 9.168 | 0.3 | 5 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.33 | 8.8 | 0.5 | 3 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.43 | 7.975 | 3.7 | 2 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.2 | 7.954 | 6.3 | 5 |
| Histamine H1 receptor CHEMBL231 | Ki | 8.05 | 8.05 | 8.9 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.98 | 7.98 | 10.4 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.62 | 7.62 | 24.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.53 | 7.53 | 29.3 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.43 | 7.43 | 37.5 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 7.37 | 7.37 | 42.6 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.24 | 7.24 | 57.9 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.22 | 7.22 | 60.5 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.22 | 7.22 | 59.9 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.18 | 7.18 | 65.5 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.12 | 7.12 | 76.4 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 6.75 | 6.75 | 177.8 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.72 | 6.72 | 191.5 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.67 | 6.67 | 212.2 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.51 | 6.51 | 308.4 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.46 | 6.46 | 344.5 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.44 | 6.44 | 363.8 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.34 | 6.34 | 451.5 | 1 |
| 5-hydroxytryptamine receptor 1E CHEMBL2182 | Ki | 6.32 | 6.32 | 478.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 6.23 | 6.23 | 589.9 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.16 | 6.16 | 689.2 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.01 | 6.01 | 968.7 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 5.82 | 5.82 | 1528.1 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.58 | 5.58 | 2607.3 | 1 |
| G-protein coupled receptor 183 CHEMBL3259470 | IC50 | 5.44 | 5.44 | 3634.5 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 4.79 | 4.79 | 16040.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2875 | hr | Mus musculus |
| T1/2 | 0.4527 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 8 |
| 34797051 | 10.1021/acs.jmedchem.1c01327 | D(2) dopamine receptor | 8 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 4 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL5058564 | U2OS | 3 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| 34797051 | 10.1021/acs.jmedchem.1c01327 | ADMET | 2 |
| 32122737 | 10.1016/j.bmcl.2020.127027 | D(2) dopamine receptor | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine