BREXPIPRAZOLE

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05AX16
UNII: 2J3YBM1K8C

Structure
InChI Key ZKIAIYBUSXZPLP-UHFFFAOYSA-N
Smile O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1
InChI
InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27N3O2S
Molecular Weight 433.58
AlogP 4.72
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 48.57
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Dopamine D2 receptor partial agonist FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
6 - - 0-0 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 0-0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 4 D012559 ClinicalTrials
Depressive Disorder, Major 4 D003865 ClinicalTrials
Psychotic Disorders 4 D011618 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Stress Disorders, Post-Traumatic 3 D013313 ClinicalTrials
Alzheimer Disease 3 D000544 ClinicalTrials
Sleep Wake Disorders 3 D012893 ClinicalTrials
Psychomotor Agitation 3 D011595 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Borderline Personality Disorder 2 D001883 ClinicalTrials
Alcoholism 2 D000437 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
22.04
Nervous system disorders
18.76
General disorders and administration site conditions
13.37
Injury, poisoning and procedural complications
12.78
Investigations
6.06
Gastrointestinal disorders
4.2
Musculoskeletal and connective tissue disorders
3.94
Skin and subcutaneous tissue disorders
2.82
Cardiac disorders
2.46
Metabolism and nutrition disorders
2.32
Vascular disorders
2.01

Cross References

Resources Reference
CAS NUMBER 913611-97-9
ChEBI 134716
ChEMBL CHEMBL2105760
DrugBank DB09128
DrugCentral 5014
EPA CompTox DTXSID40238527
FDA SRS 2J3YBM1K8C
Guide to Pharmacology 7672
PharmGKB PA166160053
PubChem 11978813
SureChEMBL SCHEMBL1037592
ZINC ZINC000084758479
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