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spiperone 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| tranquillizers, neuroleptics, 4'-fluoro-4-piperidinobutyrophenone derivatives | 2470 | 749-02-0 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA.
|
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.386 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.146 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 25.823 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 12.942 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 18.570 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 45.460 | % | High | 1 |
| herg | hERG pIC50 | 6.279 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 6.683 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 98.855 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 20.860 | % | High | 1 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAPK10,MET,NTRK2,PDK2,PDK4,PIK3CB,PRKDC | 19 | |||
| kinase-selectivity-class | AKT3,AXL,CAMK2D,EIF2AK3,EPHB4,ERBB2,GRK2,PDK4,PRKCD,SIK2,SIK3,STK33 | 12 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.040 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.570 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 33.574 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 25.610 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 15.488 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 40.170 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.072 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 44.463 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 44.720 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 22.420 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 81.846 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1969 | YEAR INTRODUCED |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014150 | Antipsychotic Agents |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018492 | Dopamine Antagonists |
| CHEBI has role | CHEBI:35471 | psychotropic drug |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:37890 | α-adrenergic antagonist |
| CHEBI has role | CHEBI:48279 | serotonergic antagonist |
| CHEBI has role | CHEBI:48561 | dopaminergic antagonist |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Schizophrenia | indication | 58214004 | DOID:5419 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.57 | acidic |
| pKa2 | 8.15 | Basic |
| pKa3 | 5.3 | Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | GPCR | ANTAGONIST | Ki | 10.22 | CHEMBL | KEGG DRUG | |||
| 5-hydroxytryptamine receptor 2A | GPCR | ANTAGONIST | Ki | 8.65 | CHEMBL | KEGG DRUG | |||
| 5-hydroxytryptamine receptor 1D | GPCR | ANTAGONIST | Ki | 6 | IUPHAR | ||||
| D(1A) dopamine receptor | GPCR | Ki | 6.49 | CHEMBL | |||||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | IC50 | 6.02 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | Kd | 7.40 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2B | GPCR | ANTAGONIST | Ki | 6.50 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 5.94 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 6 | GPCR | Ki | 5.80 | CHEMBL | |||||
| Alpha-1A adrenergic receptor | GPCR | Ki | 8.10 | CHEMBL | |||||
| D(3) dopamine receptor | GPCR | Ki | 9.92 | CHEMBL | |||||
| D(1B) dopamine receptor | GPCR | ANTAGONIST | Ki | 5.30 | IUPHAR | ||||
| D(4) dopamine receptor | GPCR | Ki | 9.70 | CHEMBL | |||||
| Alpha-1D adrenergic receptor | GPCR | ANTAGONIST | Ki | 8.10 | IUPHAR | ||||
| Alpha-1B adrenergic receptor | GPCR | ANTAGONIST | Ki | 9.20 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 5A | GPCR | Ki | 4.20 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1F | GPCR | Ki | 8.40 | PDSP | |||||
| 5-hydroxytryptamine receptor 1E | GPCR | Ki | 5.30 | PDSP | |||||
| Sodium channel alpha subunits; brain (Types I, II, III) | Ion channel | IC50 | 6.22 | CHEMBL | |||||
| Histamine H1 receptor | GPCR | Ki | 6.32 | PDSP | |||||
| HLA class I histocompatibility antigen, A-3 alpha chain | Surface antigen | Kd | 5.60 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 7 | GPCR | Ki | 6.96 | CHEMBL | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 8.89 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1B | GPCR | Ki | 5.32 | CHEMBL | |||||
| Alpha-1A adrenergic receptor | GPCR | Ki | 8.14 | CHEMBL | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 7.66 | CHEMBL | |||||
| D(2) dopamine receptor | GPCR | Ki | 10.82 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 7.52 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 9 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 7 | GPCR | Ki | 8 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 7 | GPCR | Ki | 7.20 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 6 | CHEMBL | |||||
| Alpha-1A adrenergic receptor | GPCR | Ki | 7.87 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 6 | GPCR | ANTAGONIST | Ki | 5.80 | IUPHAR | ||||
| Vesicular acetylcholine transporter | Transporter | Ki | 5.99 | CHEMBL | |||||
| Muscarinic acetylcholine receptor | GPCR | Ki | 4.30 | CHEMBL | |||||
| Serotonin 1 (5-HT1) receptor | GPCR | Ki | 6.80 | CHEMBL | |||||
| Dopamine receptor | GPCR | Ki | 8.70 | CHEMBL | |||||
| Serotonin 2 (5-HT2) receptor | GPCR | Ki | 9.35 | CHEMBL | |||||
| Dopamine receptor | GPCR | IC50 | 4.46 | CHEMBL | |||||
| Beta-casein | Secreted | Ki | 8.81 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1B | GPCR | ANTAGONIST | Ki | 8.30 | IUPHAR |
External reference:
| ID | Source |
|---|---|
| D01051 | KEGG_DRUG |
| C0037956 | UMLSCUI |
| CHEBI:9233 | CHEBI |
| SIP | PDB_CHEM_ID |
| CHEMBL267930 | ChEMBL_ID |
| D013134 | MESH_DESCRIPTOR_UI |
| DB17056 | DRUGBANK_ID |
| 5265 | PUBCHEM_CID |
| 99 | IUPHAR_LIGAND_ID |
| 1553 | INN_ID |
| 4X6E73CJ0Q | UNII |
| 77222007 | SNOMEDCT_US |
| 4X6E73CJ0Q | INXIGHT DRUGS |
Pharmaceutical products:
None