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| Stem definition | Drug id | CAS RN |
|---|---|---|
| analgesic anti-inflammatory | 2415 | 65-45-2 |
| Dose | Unit | Route |
|---|---|---|
| 3 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 8 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.868 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.340 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 108.893 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 33.420 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 42.570 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 49.020 | % | High | 1 |
| herg | hERG pIC50 | 3.711 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 18.197 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 9.908 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 22.670 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IRAK1,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K10,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK12,MAPK7,MAPK9,MARK4,MTOR,NTRK1,NTRK2,PAK4,PDK1,PDK2,PDPK1,PIK3CB,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2 | 65 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AURKB,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,JAK1,MAP2K3,MAP3K21,MAPK7,MARK4,PRKDC,SIK2,STK33,TEK,TTK | 22 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.262 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 165.196 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 70.910 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.249 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 26.680 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 51.642 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 97.830 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 33.440 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 632.412 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
None
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 |
|---|---|---|---|---|---|---|
| Sedation complication | 284.52 | 206.98 | 62 | 1265 | 19793 | 110568179 |
| Creatinine renal clearance decreased | 278.70 | 206.98 | 62 | 1265 | 21753 | 110566219 |
| Blood calcium decreased | 243.06 | 206.98 | 61 | 1266 | 35784 | 110552188 |
| Creatinine renal clearance increased | 240.48 | 206.98 | 41 | 1286 | 3584 | 110584388 |
| Renal function test abnormal | 239.79 | 206.98 | 47 | 1280 | 8899 | 110579073 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N02BA05 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives |
| ATC | N02BA55 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives |
| ATC | N02BA75 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pain | indication | 22253000 | |
| Joint pain | indication | 57676002 | |
| Backache | indication | 161891005 | |
| Headache disorder | indication | 230461009 | |
| Fever | indication | 386661006 | |
| Necrotizing enterocolitis in fetus OR newborn | contraindication | 2707005 | |
| Ocular hypertension | contraindication | 4210003 | DOID:9282 |
| Gastritis | contraindication | 4556007 | DOID:4029 |
| Hypophosphatemia | contraindication | 4996001 | |
| Dependent drug abuse | contraindication | 6525002 | |
| Alcoholism | contraindication | 7200002 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Constipation | contraindication | 14760008 | DOID:2089 |
| Chronic disease of respiratory system | contraindication | 17097001 | |
| Mood swings | contraindication | 18963009 | |
| Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
| Gastrointestinal ulcer | contraindication | 40845000 | |
| Hypothyroidism | contraindication | 40930008 | DOID:1459 |
| Hypokalemia | contraindication | 43339004 | |
| Body fluid retention | contraindication | 43498006 | |
| Fecal impaction | contraindication | 44635007 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Low blood pressure | contraindication | 45007003 | |
| Bradycardia | contraindication | 48867003 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Vitamin K deficiency | contraindication | 52675005 | DOID:11249 |
| Nasal polyp | contraindication | 52756005 | |
| Gastrectomy | contraindication | 53442002 | |
| Acute nephropathy | contraindication | 58574008 | |
| Leber's optic atrophy | contraindication | 58610003 | DOID:705 |
| Hepatic failure | contraindication | 59927004 | |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Drug AND/OR toxin-induced diarrhea | contraindication | 65979008 | |
| Substance abuse | contraindication | 66214007 | |
| Benign intracranial hypertension | contraindication | 68267002 | DOID:11459 |
| Hemorrhoids | contraindication | 70153002 | DOID:9746 |
| Poisoning by acetaminophen | contraindication | 70273001 | |
| Agoraphobia | contraindication | 70691001 | DOID:593 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| 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 | |
| Atrophic gastritis | contraindication | 84568007 | DOID:8929 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Gout | contraindication | 90560007 | DOID:13189 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Thyrotoxicosis | contraindication | 90739004 | DOID:7997 |
| Hemophilia | contraindication | 90935002 | |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Acute abdominal pain | contraindication | 116290004 | |
| Procedure on urinary system | contraindication | 118677009 | |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| von Willebrand disorder | contraindication | 128105004 | DOID:12531 |
| Seizure disorder | contraindication | 128613002 | |
| Obsessive-compulsive disorder | contraindication | 191736004 | DOID:10933 |
| Insomnia | contraindication | 193462001 | |
| Impaired renal function disorder | contraindication | 197663003 | |
| Gastroesophageal reflux disease | contraindication | 235595009 | DOID:8534 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Chronic diarrhea | contraindication | 236071009 | |
| Aluminum intoxication | contraindication | 236546003 | |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Retention of urine | contraindication | 267064002 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Pregnancy, function | contraindication | 289908002 | |
| Lesion of brain | contraindication | 301766008 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Panic disorder | contraindication | 371631005 | DOID:594 |
| Primary adrenocortical insufficiency | contraindication | 373662000 | |
| Operation on gastrointestinal tract | contraindication | 386621005 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Cardiovascular event risk | contraindication | 395112001 | |
| Pseudomembranous enterocolitis | contraindication | 397683000 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Myocardial ischemia | contraindication | 414795007 | DOID:3393 |
| Myocardial infarction in recovery phase | contraindication | 418044006 | |
| Central nervous system depression | contraindication | 418072004 | |
| Ultrarapid metabolizer due to cytochrome p450 CYP2D6 variant | contraindication | 422681000 | |
| Dysfunction of sphincter of Oddi | contraindication | 430887001 | |
| Acute erosive gastritis | contraindication | 444926003 | |
| Acute exacerbation of asthma | contraindication | 708038006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.32 | acidic |
| pKa2 | 12.39 | acidic |
None
None
None
| ID | Source |
|---|---|
| 4018828 | VUID |
| N0000147131 | NUI |
| D01811 | KEGG_DRUG |
| 4018828 | VANDF |
| C0036071 | UMLSCUI |
| CHEBI:32114 | CHEBI |
| OHB | PDB_CHEM_ID |
| CHEMBL27577 | ChEMBL_ID |
| 5147 | PUBCHEM_CID |
| DB08797 | DRUGBANK_ID |
| 1861 | INN_ID |
| C031060 | MESH_SUPPLEMENTAL_RECORD_UI |
| C524082 | MESH_SUPPLEMENTAL_RECORD_UI |
| EM8BM710ZC | UNII |
| 9518 | RXNORM |
| 5076 | MMSL |
| 5438 | MMSL |
| d03094 | MMSL |
| 001589 | NDDF |
| 22192002 | SNOMEDCT_US |
| 400325002 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Unishield Pain Zapper | HUMAN OTC DRUG LABEL | 4 | 49314-8113 | TABLET | 152 mg | ORAL | OTC monograph not final | 17 sections |
| EXAPRIN | HUMAN OTC DRUG LABEL | 4 | 50332-0105 | TABLET | 152 mg | ORAL | OTC monograph not final | 14 sections |
| Pain Free | HUMAN OTC DRUG LABEL | 4 | 51532-0242 | TABLET | 152 1 | ORAL | OTC monograph not final | 9 sections |
| PAIN RELIEVER | HUMAN OTC DRUG LABEL | 4 | 67060-113 | TABLET | 152 1 | ORAL | OTC monograph not final | 9 sections |
| Extra Strength Pain Reliever | HUMAN OTC DRUG LABEL | 4 | 71105-242 | TABLET | 152 mg | ORAL | OTC monograph not final | 12 sections |
| Aramark Pain Free | HUMAN OTC DRUG LABEL | 4 | 81238-0242 | TABLET | 152 mg | ORAL | OTC monograph not final | 12 sections |