ZIPRASIDONE

Search structure
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N05AE04
UNII: 6UKA5VEJ6X

Structure
InChI Key MVWVFYHBGMAFLY-UHFFFAOYSA-N
Smile O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
InChI
InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21ClN4OS
Molecular Weight 412.95
AlogP 3.81
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 48.47
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Primary Target
5-HT2A receptor
5-HT2C receptor
D2 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 398 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 120-152 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 5100 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 11 - 2-12 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 5 - 1-13 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 150 - 5-510 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 0 - 0-2 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 53-79 -
Transporter Electrochemical transporter
- - - 53-79 87
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 19

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psychotic Disorders 4 D011618 ClinicalTrials
Psychotic Disorders 4 D011618 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Mood Disorders 2 D019964 ClinicalTrials
Phobia, Social 2 D000072861 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Borderline Personality Disorder 2 D001883 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Cardiovascular Diseases 1 D002318 ClinicalTrials
Opioid-Related Disorders 0 D009293 ClinicalTrials
Substance-Related Disorders 0 D019966 ClinicalTrials

Related Entries

Scaffolds

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 146939-27-7
ChEBI 10119
ChEMBL CHEMBL708
DrugBank DB00246
DrugCentral 2865
EPA CompTox DTXSID4023753
FDA SRS 6UKA5VEJ6X
Human Metabolome Database HMDB0014391
Guide to Pharmacology 59
KEGG C07568
PharmGKB PA451974
PubChem 60854
SureChEMBL SCHEMBL28028
ZINC ZINC000000538550
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