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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 404 | 118-23-0 |
None
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 6.41 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 65 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK | 53 | |||
| kinase-selectivity-class | AKT3,AXL,ERBB2,PDK4 | 4 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.408 | High | 0.81 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | High | 0.81 | |
| rat-kpuu-brain | Rat brain Kpuu | 1.429 | % | High | 0.81 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 28, 1954 | FDA | FOREST LABS |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | R06AA01 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Aminoalkyl ethers |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:37955 | H<small><sub>1</sub></small>-receptor antagonist |
| CHEBI has role | CHEBI:48876 | muscarinic antagonist |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Cough | indication | 49727002 | |
| Nasal discharge | indication | 64531003 | |
| Nasal congestion | indication | 68235000 | |
| Common cold | indication | 82272006 | DOID:10459 |
| Dependent drug abuse | contraindication | 6525002 | |
| Chronic disease of respiratory system | contraindication | 17097001 | |
| Mood swings | contraindication | 18963009 | |
| Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
| Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
| Hypothyroidism | contraindication | 40930008 | DOID:1459 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Low blood pressure | contraindication | 45007003 | |
| Bradycardia | contraindication | 48867003 | |
| Drug AND/OR toxin-induced diarrhea | contraindication | 65979008 | |
| Substance abuse | contraindication | 66214007 | |
| Benign intracranial hypertension | contraindication | 68267002 | DOID:11459 |
| Urethral stricture | contraindication | 76618002 | |
| Decreased respiratory function | contraindication | 80954004 | |
| Injury of head | contraindication | 82271004 | |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Acute abdominal pain | contraindication | 116290004 | |
| Procedure on urinary system | contraindication | 118677009 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Lesion of brain | contraindication | 301766008 | |
| Primary adrenocortical insufficiency | contraindication | 373662000 | |
| Operation on gastrointestinal tract | contraindication | 386621005 | |
| Pseudomembranous enterocolitis | contraindication | 397683000 | |
| Central nervous system depression | contraindication | 418072004 | |
| Ultrarapid metabolizer due to cytochrome p450 CYP2D6 variant | contraindication | 422681000 | |
| Dysfunction of sphincter of Oddi | contraindication | 430887001 | |
| Acute exacerbation of asthma | contraindication | 708038006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.52 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | GPCR | ANTAGONIST | Ki | 8.89 | WOMBAT-PK | CHEMBL |
| ID | Source |
|---|---|
| 4019640 | VUID |
| N0000179056 | NUI |
| D03166 | KEGG_DRUG |
| 3427-80-3 | SECONDARY_CAS_RN |
| 19759 | RXNORM |
| C0054120 | UMLSCUI |
| CHEBI:59177 | CHEBI |
| CHEMBL1201245 | ChEMBL_ID |
| CHEMBL1200967 | ChEMBL_ID |
| DB01237 | DRUGBANK_ID |
| C011410 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1808-12-4 | SECONDARY_CAS_RN |
| 2444 | PUBCHEM_CID |
| 4301 | MMSL |
| d03575 | MMSL |
| 26191006 | SNOMEDCT_US |
| 387430000 | SNOMEDCT_US |
| 75501004 | SNOMEDCT_US |
| 7132 | IUPHAR_LIGAND_ID |
| 336 | INN_ID |
| 4018814 | VANDF |
| 4019640 | VANDF |
| 5A6HSK9TDT | UNII |
| 003370 | NDDF |
| 004788 | NDDF |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Diphenhydramine HCI and Zinc Acetate | HUMAN OTC DRUG LABEL | 2 | 41520-090 | AEROSOL, SPRAY | 1.52 g | TOPICAL | OTC monograph not final | 15 sections |
| Diphenhydramine HCI and Zinc Acetate | HUMAN OTC DRUG LABEL | 2 | 42507-957 | AEROSOL, SPRAY | 2 mg | TOPICAL | OTC Monograph Drug | 15 sections |