| Stem definition | Drug id | CAS RN |
|---|---|---|
| atropine derivatives | 1402 | 101-31-5 |
| Dose | Unit | Route |
|---|---|---|
| 1.20 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 2000 mg/mL | Bocci G, Oprea TI, Benet LZ |
| EoM (Fraction excreted unchanged in urine) | 57 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.00 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1869 | YEAR INTRODUCED |
| 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 |
|---|---|---|---|---|---|---|
| Cholecystitis chronic | 146.69 | 13.78 | 59 | 11394 | 10302 | 63467267 |
| Biliary dyskinesia | 73.71 | 13.78 | 25 | 11428 | 2704 | 63474865 |
| Gallbladder disorder | 67.06 | 13.78 | 42 | 11411 | 18800 | 63458769 |
| Abdominal pain | 44.62 | 13.78 | 135 | 11318 | 293321 | 63184248 |
| Anticholinergic syndrome | 35.21 | 13.78 | 14 | 11439 | 2368 | 63475201 |
| Emotional distress | 33.39 | 13.78 | 35 | 11418 | 32514 | 63445055 |
| Vision blurred | 32.54 | 13.78 | 59 | 11394 | 91865 | 63385704 |
| Anxiety | 30.17 | 13.78 | 97 | 11356 | 217444 | 63260125 |
| Drug ineffective | 28.78 | 13.78 | 95 | 11358 | 1044670 | 62432899 |
| Injury | 28.49 | 13.78 | 49 | 11404 | 73198 | 63404371 |
| Spleen congestion | 27.53 | 13.78 | 6 | 11447 | 119 | 63477450 |
| Colitis ulcerative | 26.66 | 13.78 | 28 | 11425 | 26063 | 63451506 |
| Cholelithiasis | 26.45 | 13.78 | 36 | 11417 | 43889 | 63433680 |
| Drug intolerance | 25.35 | 13.78 | 12 | 11441 | 308649 | 63168920 |
| Joint swelling | 23.62 | 13.78 | 15 | 11438 | 327651 | 63149918 |
| Depression | 22.32 | 13.78 | 82 | 11371 | 196410 | 63281159 |
| Diarrhoea | 21.10 | 13.78 | 209 | 11244 | 715157 | 62762412 |
| Muscle spasms | 21.06 | 13.78 | 69 | 11384 | 156081 | 63321488 |
| Dizziness | 19.83 | 13.78 | 139 | 11314 | 429786 | 63047783 |
| Asthma | 19.62 | 13.78 | 59 | 11394 | 127502 | 63350067 |
| Aortic valve calcification | 18.83 | 13.78 | 6 | 11447 | 533 | 63477036 |
| Abdominal distension | 18.26 | 13.78 | 45 | 11408 | 86570 | 63390999 |
| Biliary colic | 17.95 | 13.78 | 10 | 11443 | 3607 | 63473962 |
| Gallbladder injury | 16.40 | 13.78 | 7 | 11446 | 1416 | 63476153 |
| Off label use | 16.06 | 13.78 | 65 | 11388 | 674397 | 62803172 |
| Cystitis interstitial | 15.58 | 13.78 | 7 | 11446 | 1601 | 63475968 |
| Abdominal pain upper | 15.52 | 13.78 | 76 | 11377 | 206368 | 63271201 |
| Arthropathy | 15.26 | 13.78 | 12 | 11441 | 234780 | 63242789 |
| Haemorrhoids | 14.63 | 13.78 | 19 | 11434 | 22131 | 63455438 |
| Systemic lupus erythematosus | 14.45 | 13.78 | 10 | 11443 | 208908 | 63268661 |
| Blood testosterone decreased | 13.94 | 13.78 | 3 | 11450 | 56 | 63477513 |
| 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 |
|---|---|---|---|---|---|---|
| Abdominal pain | 27.99 | 19.77 | 48 | 2724 | 163570 | 34790589 |
| Faecal calprotectin abnormal | 22.84 | 19.77 | 5 | 2767 | 237 | 34953922 |
| 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 |
|---|---|---|---|---|---|---|
| Cholecystitis chronic | 147.46 | 14.16 | 53 | 9917 | 9853 | 79724565 |
| Gallbladder disorder | 71.93 | 14.16 | 39 | 9931 | 19301 | 79715117 |
| Biliary dyskinesia | 67.32 | 14.16 | 21 | 9949 | 2524 | 79731894 |
| Abdominal pain | 37.17 | 14.16 | 120 | 9850 | 389449 | 79344969 |
| Anticholinergic syndrome | 34.54 | 14.16 | 14 | 9956 | 3597 | 79730821 |
| Emotional distress | 34.33 | 14.16 | 33 | 9937 | 39936 | 79694482 |
| Vision blurred | 32.45 | 14.16 | 52 | 9918 | 105846 | 79628572 |
| Injury | 32.33 | 14.16 | 44 | 9926 | 77452 | 79656966 |
| Cholelithiasis | 30.10 | 14.16 | 35 | 9935 | 52629 | 79681789 |
| Muscle spasms | 26.73 | 14.16 | 64 | 9906 | 174666 | 79559752 |
| Colitis ulcerative | 26.70 | 14.16 | 27 | 9943 | 34715 | 79699703 |
| Anxiety | 25.91 | 14.16 | 79 | 9891 | 248433 | 79485985 |
| Dizziness | 23.83 | 14.16 | 129 | 9841 | 526312 | 79208106 |
| Urinary tract infection | 20.45 | 14.16 | 78 | 9892 | 274434 | 79459984 |
| Diarrhoea | 19.85 | 14.16 | 182 | 9788 | 880307 | 78854111 |
| Abdominal pain upper | 18.69 | 14.16 | 66 | 9904 | 223753 | 79510665 |
| Spleen congestion | 17.45 | 14.16 | 5 | 9965 | 449 | 79733969 |
| Gallbladder injury | 16.18 | 14.16 | 6 | 9964 | 1215 | 79733203 |
| Depression | 15.65 | 14.16 | 61 | 9909 | 216729 | 79517689 |
| Dry mouth | 15.39 | 14.16 | 34 | 9936 | 87985 | 79646433 |
| Pain | 15.08 | 14.16 | 144 | 9826 | 703658 | 79030760 |
| Aortic valve calcification | 14.85 | 14.16 | 5 | 9965 | 765 | 79733653 |
| Completed suicide | 14.49 | 14.16 | 65 | 9905 | 245702 | 79488716 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A03BA03 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS BELLADONNA AND DERIVATIVES, PLAIN Belladonna alkaloids, tertiary amines |
| ATC | A03CB31 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS ANTISPASMODICS IN COMBINATION WITH PSYCHOLEPTICS Belladonna and derivatives in combination with psycholeptics |
| CHEBI has role | CHEBI:76924 | plant metabolites |
| MeSH PA | D000759 | Adjuvants, Anesthesia |
| MeSH PA | D000889 | Anti-Arrhythmia Agents |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D001993 | Bronchodilator Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D018680 | Cholinergic Antagonists |
| MeSH PA | D018727 | Muscarinic Antagonists |
| MeSH PA | D009184 | Mydriatics |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D010276 | Parasympatholytics |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Peptic ulcer | indication | 13200003 | DOID:750 |
| Dysuria | indication | 49650001 | |
| Sinus bradycardia | indication | 49710005 | |
| Excessive salivation | indication | 53827007 | |
| Gastrointestinal Radiography Adjunct | indication | ||
| Muscarine Toxicity | indication | ||
| Cholinesterase Inhibitors Toxicity | indication | ||
| Urinary Tract Irritation | indication | ||
| Irritable bowel syndrome | off-label use | 10743008 | DOID:9778 |
| Diarrhea | off-label use | 62315008 | |
| Urinary incontinence | off-label use | 165232002 | |
| Neurogenic bladder | off-label use | 398064005 | |
| Brain damage | contraindication | 2470005 | |
| Ocular hypertension | contraindication | 4210003 | DOID:9282 |
| Gastritis | contraindication | 4556007 | DOID:4029 |
| Hypocalcemia | contraindication | 5291005 | |
| Tachyarrhythmia | contraindication | 6285003 | |
| Suicidal thoughts | contraindication | 6471006 | |
| Urinary tract obstruction | contraindication | 7163005 | DOID:5200 |
| Alcoholism | contraindication | 7200002 | |
| Hyperammonemia | contraindication | 9360008 | |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Hepatic encephalopathy | contraindication | 13920009 | DOID:13413 |
| Severe chronic ulcerative colitis | contraindication | 14311001 | |
| Disorder of autonomic nervous system | contraindication | 15241006 | |
| Cirrhosis of liver | contraindication | 19943007 | DOID:5082 |
| Hyperphosphatemia | contraindication | 20165001 | DOID:0050459 |
| Glaucoma | contraindication | 23986001 | DOID:1686 |
| Toxic megacolon | contraindication | 28536002 | DOID:1770 |
| Atony of colon | contraindication | 29479008 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Depressive disorder | contraindication | 35489007 | |
| Glomerulonephritis | contraindication | 36171008 | DOID:2921 |
| Acute hepatitis | contraindication | 37871000 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Hypernatremia | contraindication | 39355002 | |
| Hypovolemic shock | contraindication | 39419009 | |
| Gastrointestinal ulcer | contraindication | 40845000 | |
| Complete trisomy 21 syndrome | contraindication | 41040004 | DOID:14250 |
| Body fluid retention | contraindication | 43498006 | |
| Hyperactive behavior | contraindication | 44548000 | |
| Uremia | contraindication | 44730006 | DOID:4676 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Achalasia of esophagus | contraindication | 45564002 | DOID:9164 |
| Chronic heart failure | contraindication | 48447003 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Vitamin K deficiency | contraindication | 52675005 | DOID:11249 |
| Nasal polyp | contraindication | 52756005 | |
| Coronary arteriosclerosis | contraindication | 53741008 | DOID:3393 |
| Paralytic ileus | contraindication | 55525008 | DOID:8442 |
| Peptic reflux disease | contraindication | 57643001 | |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Poisoning by phenobarbital | contraindication | 64921004 | |
| Drug AND/OR toxin-induced diarrhea | contraindication | 65979008 | |
| Substance abuse | contraindication | 66214007 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Sleep apnea | contraindication | 73430006 | DOID:0050847 |
| Factor II deficiency | contraindication | 73975000 | |
| Gastrointestinal hemorrhage | contraindication | 74474003 | |
| Thrombotic thrombocytopenic purpura | contraindication | 78129009 | DOID:10772 |
| Spastic paralysis | contraindication | 78403003 | |
| Disturbance of salivary secretion | contraindication | 78948009 | |
| Chronic idiopathic constipation | contraindication | 82934008 | |
| Hiatal hernia | contraindication | 84089009 | DOID:12642 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Thyrotoxicosis | contraindication | 90739004 | DOID:7997 |
| Hemophilia | contraindication | 90935002 | |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Deficiency of glucose-6-phosphate dehydrogenase | contraindication | 124134002 | DOID:2862 |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| Autonomic dysreflexia | contraindication | 129618003 | |
| Bleeding | contraindication | 131148009 | |
| Liver function tests abnormal | contraindication | 166603001 | |
| Myocardial dysfunction | contraindication | 233928007 | |
| Gastroesophageal reflux disease | contraindication | 235595009 | DOID:8534 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Pyloric obstruction | contraindication | 244815007 | |
| Sleep automatism | contraindication | 247962006 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Dyspnea | contraindication | 267036007 | |
| Edema | contraindication | 267038008 | |
| Retention of urine | contraindication | 267064002 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Drowsy | contraindication | 271782001 | |
| Pregnancy, function | contraindication | 289908002 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Cardiovascular event risk | contraindication | 395112001 | |
| Gastric ulcer | contraindication | 397825006 | DOID:10808 |
| Respiratory insufficiency | contraindication | 409623005 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Chronic lung disease | contraindication | 413839001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Porphyria | contraindication | 418470004 | |
| Fever greater than 100.4 Fahrenheit | contraindication | 426000000 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Severe dehydration | contraindication | 450316000 | |
| Acute exacerbation of asthma | contraindication | 708038006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.24 | acidic |
| pKa2 | 9.26 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | GPCR | ANTAGONIST | Ki | 9 | WOMBAT-PK | KEGG DRUG | |||
| Muscarinic acetylcholine receptor M2 | GPCR | ANTAGONIST | Ki | 9.30 | WOMBAT-PK | KEGG DRUG | |||
| Muscarinic acetylcholine receptor M3 | GPCR | ANTAGONIST | Ki | 9.80 | WOMBAT-PK | KEGG DRUG | |||
| Muscarinic acetylcholine receptor M4 | GPCR | Ki | 9.90 | WOMBAT-PK | |||||
| Muscarinic acetylcholine receptor M5 | GPCR | Ki | 9.20 | WOMBAT-PK |
| ID | Source |
|---|---|
| 4018400 | VUID |
| N0000189428 | NUI |
| D00147 | KEGG_DRUG |
| 306-03-6 | SECONDARY_CAS_RN |
| 6835-16-1 | SECONDARY_CAS_RN |
| 4018398 | VANDF |
| 4018400 | VANDF |
| 4018402 | VANDF |
| C0596004 | UMLSCUI |
| CHEBI:17486 | CHEBI |
| CHEMBL1331216 | ChEMBL_ID |
| CHEMBL2106364 | ChEMBL_ID |
| DB00424 | DRUGBANK_ID |
| CHEMBL1257084 | ChEMBL_ID |
| CHEMBL3989570 | ChEMBL_ID |
| CHEMBL1697729 | ChEMBL_ID |
| D064692 | MESH_DESCRIPTOR_UI |
| 174174 | PUBCHEM_CID |
| PX44XO846X | UNII |
| 1047802 | RXNORM |
| 20634 | MMSL |
| 4860 | MMSL |
| 4861 | MMSL |
| 4949 | MMSL |
| 6292 | MMSL |
| 71952 | MMSL |
| 72595 | MMSL |
| d00985 | MMSL |
| 001727 | NDDF |
| 001728 | NDDF |
| 001729 | NDDF |
| 372757002 | SNOMEDCT_US |
| 387391003 | SNOMEDCT_US |
| 48899009 | SNOMEDCT_US |
| 56085009 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| URELLE | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0037-6321 | TABLET | 0.12 mg | ORAL | Unapproved drug other | 12 sections |
| Levsin | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0037-9001 | INJECTION, SOLUTION | 0.50 mg | SUBCUTANEOUS | Unapproved drug other | 11 sections |
| Levsin | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0037-9001 | INJECTION, SOLUTION | 0.50 mg | SUBCUTANEOUS | Unapproved drug other | 11 sections |
| URIBEL | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0076-0111 | CAPSULE | 0.12 mg | ORAL | unapproved drug other | 20 sections |
| Hyophen | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0076-0901 | TABLET | 0.12 mg | ORAL | unapproved drug other | 19 sections |
| Phosphasal | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0076-0902 | TABLET | 0.12 mg | ORAL | unapproved drug other | 20 sections |
| Ustell | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0076-0903 | CAPSULE | 0.12 mg | ORAL | unapproved drug other | 20 sections |
| Utira-C | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0178-0513 | TABLET | 0.12 mg | ORAL | unapproved drug other | 12 sections |
| Utira-C | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0178-0513 | TABLET | 0.12 mg | ORAL | unapproved drug other | 12 sections |
| URIBEL | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0178-0740 | CAPSULE | 0.12 mg | ORAL | unapproved drug other | 21 sections |
| URIBEL | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0178-0740 | CAPSULE | 0.12 mg | ORAL | unapproved drug other | 21 sections |
| ANASPAZ | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0225-0295 | TABLET, ORALLY DISINTEGRATING | 0.13 mg | SUBLINGUAL | unapproved drug other | 21 sections |
| Belladonna Alkaloids with Phenobartbital | HUMAN PRESCRIPTION DRUG LABEL | 4 | 0440-7183 | TABLET | 0.10 mg | ORAL | UNAPPROVED DRUG OTHER | 14 sections |
| ED-SPAZ | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0485-0082 | TABLET, ORALLY DISINTEGRATING | 0.13 mg | ORAL | unapproved drug other | 20 sections |
| UROGESIC BLUE | HUMAN PRESCRIPTION DRUG LABEL | 4 | 0485-0151 | TABLET, COATED | 0.12 mg | ORAL | unapproved drug other | 18 sections |
| UROGESIC BLUE | HUMAN PRESCRIPTION DRUG LABEL | 4 | 0485-0151 | TABLET, COATED | 0.12 mg | ORAL | unapproved drug other | 18 sections |
| UROGESIC BLUE | HUMAN PRESCRIPTION DRUG LABEL | 4 | 0485-0151 | TABLET, COATED | 0.12 mg | ORAL | unapproved drug other | 18 sections |
| UROGESIC BLUE | HUMAN PRESCRIPTION DRUG LABEL | 4 | 0485-0151 | TABLET, COATED | 0.12 mg | ORAL | unapproved drug other | 18 sections |
| Uretron D/S | HUMAN PRESCRIPTION DRUG LABEL | 5 | 12539-144 | TABLET | 0.12 mg | ORAL | unapproved drug other | 20 sections |
| UroAv-81 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 15338-502 | TABLET | 0.12 mg | ORAL | unapproved drug other | 18 sections |
| UroAv-B | HUMAN PRESCRIPTION DRUG LABEL | 5 | 15338-503 | CAPSULE | 0.12 mg | ORAL | unapproved drug other | 18 sections |
| Phenohytro | HUMAN PRESCRIPTION DRUG LABEL | 4 | 17856-0123 | ELIXIR | 0.10 mg | ORAL | UNAPPROVED DRUG OTHER | 18 sections |
| Phenohytro | HUMAN PRESCRIPTION DRUG LABEL | 4 | 17856-0125 | ELIXIR | 0.10 mg | ORAL | UNAPPROVED DRUG OTHER | 18 sections |
| Phenohytro | HUMAN PRESCRIPTION DRUG LABEL | 4 | 17856-0125 | ELIXIR | 0.10 mg | ORAL | UNAPPROVED DRUG OTHER | 18 sections |
| PHENOBARBITAL WITH BELLADONNA ALKALOIDS | HUMAN PRESCRIPTION DRUG LABEL | 4 | 17856-0162 | ELIXIR | 0.10 mg | ORAL | unapproved drug other | 16 sections |
| Donnatal | HUMAN PRESCRIPTION DRUG LABEL | 4 | 17856-0423 | ELIXIR | 0.10 mg | ORAL | unapproved drug other | 12 sections |
| Hyosyne | HUMAN PRESCRIPTION DRUG LABEL | 1 | 17856-0511 | ELIXIR | 0.13 mg | ORAL | unapproved drug other | 11 sections |
| Hyosyne | HUMAN PRESCRIPTION DRUG LABEL | 1 | 17856-0514 | ELIXIR | 0.13 mg | ORAL | unapproved drug other | 11 sections |
| Hyoscyamine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 21695-442 | TABLET | 0.13 mg | ORAL | Unapproved drug other | 18 sections |
| RE-PB HYOS ELIXIR | HUMAN PRESCRIPTION DRUG LABEL | 4 | 21695-594 | ELIXIR | 0.10 mg | ORAL | Unapproved drug other | 11 sections |