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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2149 | 14838-15-4 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
| 0.10 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 65 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 15.22 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 95 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,MAP3K7,MAPK12,MAPK7,NTRK2,PDK2,PIM2,PRKDC,SIK2,SYK,TEK,TGFBR1 | 27 | |||
| kinase-selectivity-class | AKT3,AXL,GRK2,PDK4 | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 29, 2000 | FDA | ALPHARMA US PHARMS |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Toxicity to various agents | 49.29 | 45.98 | 23 | 315 | 287823 | 90340286 |
| Sudden cardiac death | 47.05 | 45.98 | 8 | 330 | 2224 | 90625885 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Toxicity to various agents | 75.92 | 36.67 | 38 | 440 | 480517 | 110108304 |
| Sudden cardiac death | 38.44 | 36.67 | 8 | 470 | 5629 | 110583192 |
None
| Source | Code | Description |
|---|---|---|
| ATC | R01BA01 | RESPIRATORY SYSTEM NASAL PREPARATIONS NASAL DECONGESTANTS FOR SYSTEMIC USE Sympathomimetics |
| ATC | R01BA51 | RESPIRATORY SYSTEM NASAL PREPARATIONS NASAL DECONGESTANTS FOR SYSTEMIC USE Sympathomimetics |
| MeSH PA | D000316 | Adrenergic alpha-Agonists |
| MeSH PA | D001067 | Appetite Depressants |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D013566 | Sympathomimetics |
| MeSH PA | D014662 | Vasoconstrictor Agents |
| MeSH PA | D014663 | Nasal Decongestants |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| MeSH PA | D019440 | Anti-Obesity Agents |
| CHEBI has role | CHEBI:35524 | sympathomimetic agent |
| CHEBI has role | CHEBI:77715 | nasal decongestant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Sinus headache | indication | 4969004 | |
| Vasomotor rhinitis | indication | 8229003 | DOID:4730 |
| Cough | indication | 49727002 | |
| Allergic rhinitis | indication | 61582004 | |
| Nasal discharge | indication | 64531003 | |
| Nasal congestion | indication | 68235000 | |
| Rhinitis | indication | 70076002 | DOID:4483 |
| Sneezing | indication | 76067001 | |
| Common cold | indication | 82272006 | DOID:10459 |
| Influenza-like symptoms | indication | 315642008 | |
| Seasonal allergic rhinitis | indication | 367498001 | |
| Allergic conjunctivitis | indication | 473460002 | DOID:11204 |
| Urinary incontinence | off-label use | 165232002 | |
| Obesity | off-label use | 414916001 | DOID:9970 |
| Necrotizing enterocolitis in fetus OR newborn | contraindication | 2707005 | |
| Ocular hypertension | contraindication | 4210003 | DOID:9282 |
| Suicidal thoughts | contraindication | 6471006 | |
| Dependent drug abuse | contraindication | 6525002 | |
| Alcoholism | contraindication | 7200002 | |
| Alcohol withdrawal delirium | contraindication | 8635005 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Asthenia | contraindication | 13791008 | |
| Constipation | contraindication | 14760008 | DOID:2089 |
| Primary hyperoxaluria | contraindication | 17901006 | DOID:2977 |
| Mood swings | contraindication | 18963009 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
| Ventricular tachycardia | contraindication | 25569003 | |
| Alcohol intoxication | contraindication | 25702006 | |
| Shock | contraindication | 27942005 | |
| Hypercapnia | contraindication | 29596007 | |
| Dehydration | contraindication | 34095006 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Acute hepatitis | contraindication | 37871000 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
| Gastrointestinal ulcer | contraindication | 40845000 | |
| Hypothyroidism | contraindication | 40930008 | DOID:1459 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Low blood pressure | contraindication | 45007003 | |
| Chronic heart failure | contraindication | 48447003 | |
| Bradycardia | contraindication | 48867003 | |
| Acidosis | contraindication | 51387008 | |
| Vitamin K deficiency | contraindication | 52675005 | DOID:11249 |
| Nasal polyp | contraindication | 52756005 | |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Arterial thrombosis | contraindication | 65198009 | |
| Substance abuse | contraindication | 66214007 | |
| Benign intracranial hypertension | contraindication | 68267002 | DOID:11459 |
| Poisoning by acetaminophen | contraindication | 70273001 | |
| Agoraphobia | contraindication | 70691001 | DOID:593 |
| Arteriosclerotic vascular disease | contraindication | 72092001 | |
| Factor II deficiency | contraindication | 73975000 | |
| Reye's syndrome | contraindication | 74351001 | DOID:14525 |
| Gastrointestinal hemorrhage | contraindication | 74474003 | |
| Urethral stricture | contraindication | 76618002 | |
| Thrombotic thrombocytopenic purpura | contraindication | 78129009 | DOID:10772 |
| Decreased respiratory function | contraindication | 80954004 | |
| Injury of head | contraindication | 82271004 | |
| Chronic idiopathic constipation | contraindication | 82934008 | |
| Cor pulmonale | contraindication | 83291003 | DOID:8515 |
| Pulmonary emphysema | contraindication | 87433001 | |
| Gout | contraindication | 90560007 | DOID:13189 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Hemophilia | contraindication | 90935002 | |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Acute abdominal pain | contraindication | 116290004 | |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| Neoplasm of brain | contraindication | 126952004 | DOID:1319 |
| Hb SS disease | contraindication | 127040003 | DOID:10923 |
| von Willebrand disorder | contraindication | 128105004 | DOID:12531 |
| Seizure disorder | contraindication | 128613002 | |
| Drug-induced psychosis | contraindication | 191483003 | DOID:1742 |
| Obsessive-compulsive disorder | contraindication | 191736004 | DOID:10933 |
| Insomnia | contraindication | 193462001 | |
| Partial atrioventricular block | contraindication | 195039008 | |
| Acute pancreatitis | contraindication | 197456007 | DOID:2913 |
| Impaired renal function disorder | contraindication | 197663003 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Retention of urine | contraindication | 267064002 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Exacerbation of asthma | contraindication | 281239006 | |
| Pregnancy, function | contraindication | 289908002 | |
| Lesion of brain | contraindication | 301766008 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Panic disorder | contraindication | 371631005 | DOID:594 |
| Coma | contraindication | 371632003 | |
| Primary adrenocortical insufficiency | contraindication | 373662000 | |
| Operation on gastrointestinal tract | contraindication | 386621005 | |
| Hypoxia | contraindication | 389086002 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Hemochromatosis | contraindication | 399187006 | DOID:2352 |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Myocardial ischemia | contraindication | 414795007 | DOID:3393 |
| Myocardial infarction in recovery phase | contraindication | 418044006 | |
| Central nervous system depression | contraindication | 418072004 | |
| Dysfunction of sphincter of Oddi | contraindication | 430887001 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Acute erosive gastritis | contraindication | 444926003 |
| Species | Use | Relation |
|---|---|---|
| Dogs | Urinary incontinence caused by urethral sphincter hypotonus | Indication |
| Product | Applicant | Ingredients |
|---|---|---|
| PROIN Chewable Tablets | Pegasus Laboratories Inc. | 1 |
| PROIN ER | Pegasus Laboratories Inc. | 1 |
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.86 | acidic |
| pKa2 | 8.89 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | GPCR | AGONIST | CHEMBL | CHEMBL | |||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 6.56 | WOMBAT-PK | |||||
| Potassium voltage-gated channel subfamily H member 2 | Ion channel | WOMBAT-PK | |||||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 7.82 | PDSP | |||||
| 5-hydroxytryptamine receptor 7 | GPCR | Ki | 5.16 | PDSP | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 5.17 | PDSP | |||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 6.58 | PDSP | |||||
| Sodium-dependent dopamine transporter | Transporter | Ki | 7.17 | PDSP | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.40 | PDSP | |||||
| Alpha-1A adrenergic receptor | GPCR | Ki | 5.01 | CHEMBL | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.58 | CHEMBL | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 5.07 | CHEMBL | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 5.02 | CHEMBL |
| ID | Source |
|---|---|
| 4019893 | VUID |
| N0000147978 | NUI |
| D01224 | KEGG_DRUG |
| 4017853 | VANDF |
| 4019893 | VANDF |
| C0031495 | UMLSCUI |
| CHEBI:8104 | CHEBI |
| CHEMBL61006 | ChEMBL_ID |
| DB00397 | DRUGBANK_ID |
| CHEMBL1200695 | ChEMBL_ID |
| D010665 | MESH_DESCRIPTOR_UI |
| 10297 | PUBCHEM_CID |
| 4955 | INN_ID |
| 154-41-6 | SECONDARY_CAS_RN |
| 33RU150WUN | UNII |
| 3266 | RXNORM |
| 5286 | MMSL |
| 5288 | MMSL |
| 5829 | MMSL |
| 7196 | MMSL |
| d00767 | MMSL |
| 001829 | NDDF |
| 004434 | NDDF |
| 004435 | NDDF |
| 387335009 | SNOMEDCT_US |
| 387464001 | SNOMEDCT_US |
| 80127003 | SNOMEDCT_US |
| CHEMBL1201535 | ChEMBL_ID |
None