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methapyrilene 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1738 | 91-80-5 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
Histamine H1 antagonist with sedative action used as a hypnotic and in allergies.
|
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
| BA (Bioavailability) | 20 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 3.30 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 28 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.60 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 0.60 mg/mL | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.347 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.504 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 30.690 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 79.983 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 67.170 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 70.340 | % | High | 1 |
| herg | hERG pIC50 | 5.111 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 18.621 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 44.771 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 57.150 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MARK4,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 45 | |||
| kinase-selectivity-class | AXL,BRAF,ERBB2,SIK2,STK33,TEK | 6 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.412 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 313.329 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 68.530 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.959 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | High | 1 | |
| pppb | Pig plasma protein binding (% unbound) | 79.140 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 272.898 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 86.400 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 66.870 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 963.829 | uM | High | 1 |
Approvals:
None
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 |
|---|---|---|
| ATC | R06AC05 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Substituted ethylene diamines |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D006633 | Histamine Antagonists |
| MeSH PA | D006634 | Histamine H1 Antagonists |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018926 | Anti-Allergic Agents |
| CHEBI has role | CHEBI:35717 | sedative |
| CHEBI has role | CHEBI:37955 | H<small><sub>1</sub></small>-receptor antagonist |
| CHEBI has role | CHEBI:50857 | anti-allergic agent |
| CHEBI has role | CHEBI:50903 | carcinogenic agent |
Related Drugs by ATC class:
R06AC Substituted ethylene diamines 5 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Dermatographic urticaria | indication | 7632005 | DOID:743 |
| Vasomotor rhinitis | indication | 8229003 | DOID:4730 |
| Allergic rhinitis | indication | 61582004 | |
| Nasal discharge | indication | 64531003 | |
| Nasal congestion | indication | 68235000 | |
| Sneezing | indication | 76067001 | |
| Urticaria | indication | 126485001 | |
| Itching of skin | indication | 418363000 | |
| Allergic conjunctivitis | indication | 473460002 | DOID:11204 |
| Anaphylaxis Adjunct | indication | ||
| Ocular hypertension | contraindication | 4210003 | DOID:9282 |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Chronic idiopathic constipation | contraindication | 82934008 | |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Retention of urine | contraindication | 267064002 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.4 | Basic |
| pKa2 | 3.75 | 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 |
|---|---|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | GPCR | Ki | 6.36 | DRUG MATRIX | |||||
| Sodium-dependent serotonin transporter | Transporter | Ki | 6.98 | DRUG MATRIX | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.86 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 6.75 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 6.27 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 6.41 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 6 | GPCR | Ki | 5.84 | DRUG MATRIX | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 5.82 | DRUG MATRIX | |||||
| Histamine H1 receptor | GPCR | Ki | 8.75 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 5.94 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 6.23 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M5 | GPCR | Ki | 5.63 | DRUG MATRIX | |||||
| Sodium-dependent dopamine transporter | Transporter | Ki | 5.66 | DRUG MATRIX | |||||
| Cytochrome P450 2D6 | Enzyme | IC50 | 5.56 | DRUG MATRIX |
External reference:
| ID | Source |
|---|---|
| 4019824 | VUID |
| N0000147913 | NUI |
| 4018851 | VANDF |
| 4019824 | VANDF |
| C0025625 | UMLSCUI |
| CHEBI:6820 | CHEBI |
| CHEMBL1411979 | ChEMBL_ID |
| DB04819 | DRUGBANK_ID |
| D008701 | MESH_DESCRIPTOR_UI |
| 4098 | PUBCHEM_CID |
| 1883 | INN_ID |
| 135-23-9 | SECONDARY_CAS_RN |
| A01LX40298 | UNII |
| 235721 | RXNORM |
| 003385 | NDDF |
| 003386 | NDDF |
| CHEMBL1255739 | ChEMBL_ID |
Pharmaceutical products:
None