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| Stem definition | Drug id | CAS RN |
|---|---|---|
| atropine derivatives | 1379 | 87-00-3 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.269 | Moderate | 0.71 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.679 | Moderate | 0.71 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 3.855 | 10^-6 cm/s | Moderate | 0.71 |
| dh-clint | Dog hepatocyte intrinsic clearance | 12.794 | uL/min/10^6 cells | Moderate | 0.71 |
| dppb | Dog plasma protein binding (% unbound) | 83.900 | % | Moderate | 0.71 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 72.910 | % | Moderate | 0.71 |
| herg | hERG pIC50 | 4.390 | pIC50 | Moderate | 0.71 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.715 | uL/min/10^6 cells | Moderate | 0.71 |
| hlm-clint | Human liver microsomal intrinsic clearance | 5.012 | uL/min/mg protein | Moderate | 0.71 |
| hppb | Human plasma protein binding (% unbound) | 81.080 | % | Moderate | 0.71 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK3,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,MET,NTRK2,PDK2,PDK4,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1 | 35 | |||
| kinase-selectivity-class | AXL,CAMK2D,CDK4,EIF2AK3,PDK4 | 5 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.361 | Moderate | 0.71 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.089 | Moderate | 0.71 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 137.721 | Moderate | 0.71 | |
| mppb | Mouse plasma protein binding (% unbound) | 87.240 | Moderate | 0.71 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 4.406 | Moderate | 0.71 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.71 | |
| pppb | Pig plasma protein binding (% unbound) | 86.050 | % | Moderate | 0.71 |
| rat-kpuu-brain | Rat brain Kpuu | 0.102 | % | Moderate | 0.71 |
| rh-clint | Rat hepatocyte intrinsic clearance | 59.841 | uL/min/10^6 cells | Moderate | 0.71 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 91.170 | % | Moderate | 0.71 |
| rppb | Rat plasma protein binding (% unbound) | 76.810 | % | Moderate | 0.71 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 716.143 | uM | Moderate | 0.71 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
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 |
|---|---|---|---|---|---|---|
| Endophthalmitis | 521.10 | 479.88 | 82 | 464 | 4351 | 42616438 |
| 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 |
|---|---|---|---|---|---|---|
| Endophthalmitis | 523.69 | 359.59 | 79 | 480 | 8108 | 110580632 |
| Choroiditis | 432.66 | 359.59 | 55 | 504 | 1560 | 110587180 |
None
| Source | Code | Description |
|---|---|---|
| ATC | S01FA05 | SENSORY ORGANS OPHTHALMOLOGICALS MYDRIATICS AND CYCLOPLEGICS Anticholinergics |
| FDA MoA | N0000000125 | Cholinergic Muscarinic Antagonists |
| MeSH PA | D010276 | Parasympatholytics |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| FDA EPC | N0000175700 | Cholinergic Muscarinic Antagonist |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Irritable bowel syndrome | indication | 10743008 | DOID:9778 |
| Peptic ulcer | indication | 13200003 | DOID:750 |
| Constipation | indication | 14760008 | DOID:2089 |
| Cough | indication | 49727002 | |
| Cycloplegia | indication | 68158006 | DOID:10033 |
| Disorder of biliary tract | indication | 105997008 | DOID:9741 |
| Uveitis | indication | 128473001 | DOID:13141 |
| Incomplete passage of stool | indication | 249515001 | |
| Perioperative Mydriasis | indication | ||
| Brain damage | contraindication | 2470005 | |
| Tachyarrhythmia | contraindication | 6285003 | |
| Suicidal thoughts | contraindication | 6471006 | |
| Dependent drug abuse | contraindication | 6525002 | |
| Urinary tract obstruction | contraindication | 7163005 | DOID:5200 |
| Alcoholism | contraindication | 7200002 | |
| Alcohol withdrawal delirium | contraindication | 8635005 | |
| Hyperammonemia | contraindication | 9360008 | |
| Asthenia | contraindication | 13791008 | |
| Hepatic encephalopathy | contraindication | 13920009 | DOID:13413 |
| Severe chronic ulcerative colitis | contraindication | 14311001 | |
| Mood swings | contraindication | 18963009 | |
| Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
| Alcohol intoxication | contraindication | 25702006 | |
| Shock | contraindication | 27942005 | |
| Toxic megacolon | contraindication | 28536002 | DOID:1770 |
| Atony of colon | contraindication | 29479008 | |
| Hypercapnia | contraindication | 29596007 | |
| Dehydration | contraindication | 34095006 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Depressive disorder | contraindication | 35489007 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
| Hypothyroidism | contraindication | 40930008 | DOID:1459 |
| Complete trisomy 21 syndrome | contraindication | 41040004 | DOID:14250 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Low blood pressure | contraindication | 45007003 | |
| Achalasia of esophagus | contraindication | 45564002 | DOID:9164 |
| Chronic heart failure | contraindication | 48447003 | |
| Bradycardia | contraindication | 48867003 | |
| Paralytic ileus | contraindication | 55525008 | DOID:8442 |
| Peptic reflux disease | contraindication | 57643001 | |
| Hepatic failure | contraindication | 59927004 | |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Poisoning by phenobarbital | contraindication | 64921004 | |
| Drug AND/OR toxin-induced diarrhea | contraindication | 65979008 | |
| Substance abuse | contraindication | 66214007 | |
| Benign intracranial hypertension | contraindication | 68267002 | DOID:11459 |
| Incontinence of feces | contraindication | 72042002 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Sleep apnea | contraindication | 73430006 | DOID:0050847 |
| Appendicitis | contraindication | 74400008 | DOID:8337 |
| Urethral stricture | contraindication | 76618002 | |
| Spastic paralysis | contraindication | 78403003 | |
| Disturbance of salivary secretion | contraindication | 78948009 | |
| Decreased respiratory function | contraindication | 80954004 | |
| Injury of head | contraindication | 82271004 | |
| Cor pulmonale | contraindication | 83291003 | DOID:8515 |
| Hiatal hernia | contraindication | 84089009 | DOID:12642 |
| Pulmonary emphysema | contraindication | 87433001 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Acute abdominal pain | contraindication | 116290004 | |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| Neoplasm of brain | contraindication | 126952004 | DOID:1319 |
| Seizure disorder | contraindication | 128613002 | |
| Autonomic dysreflexia | contraindication | 129618003 | |
| Bleeding | contraindication | 131148009 | |
| Drug-induced psychosis | contraindication | 191483003 | DOID:1742 |
| Myocardial dysfunction | contraindication | 233928007 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Morbid obesity | contraindication | 238136002 | DOID:11981 |
| Pyloric obstruction | contraindication | 244815007 | |
| Shallow anterior chamber of eye | contraindication | 246986004 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Dyspnea | contraindication | 267036007 | |
| Retention of urine | contraindication | 267064002 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Drowsy | contraindication | 271782001 | |
| Exacerbation of asthma | contraindication | 281239006 | |
| Pregnancy, function | contraindication | 289908002 | |
| Lesion of brain | contraindication | 301766008 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Coma | contraindication | 371632003 | |
| Primary adrenocortical insufficiency | contraindication | 373662000 | |
| Operation on gastrointestinal tract | contraindication | 386621005 | |
| Hypoxia | contraindication | 389086002 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Gastric ulcer | contraindication | 397825006 | DOID:10808 |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Chronic lung disease | contraindication | 413839001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Central nervous system depression | contraindication | 418072004 | |
| Porphyria | contraindication | 418470004 | |
| Dysfunction of sphincter of Oddi | contraindication | 430887001 | |
| Predisposition to Glaucoma | contraindication | ||
| Primary Closed Angle Glaucoma | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.82 | 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 | Ki | 7.50 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 7.13 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M3 | GPCR | Ki | 7.80 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M4 | GPCR | Ki | 7.85 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M5 | GPCR | Ki | 7.41 | DRUG MATRIX |
| ID | Source |
|---|---|
| 4019777 | VUID |
| N0000171598 | NUI |
| D01004 | KEGG_DRUG |
| 4018591 | VANDF |
| 4019777 | VANDF |
| C0062922 | UMLSCUI |
| CHEBI:5747 | CHEBI |
| CHEMBL1618018 | ChEMBL_ID |
| DB11181 | DRUGBANK_ID |
| CHEMBL1319362 | ChEMBL_ID |
| C100236 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5282593 | PUBCHEM_CID |
| 51-56-9 | SECONDARY_CAS_RN |
| 8QS6WCL55Z | UNII |
| 235428 | RXNORM |
| 4830 | MMSL |
| 7916 | MMSL |
| 816 | MMSL |
| d04149 | MMSL |
| 001723 | NDDF |
| 001724 | NDDF |
| 126132001 | SNOMEDCT_US |
| 372864009 | SNOMEDCT_US |
| 82264009 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| HOMATROPINE HYDROBROMIDE OPHTHALMIC | HUMAN PRESCRIPTION DRUG LABEL | 1 | 59390-192 | SOLUTION | 50 mg | OPHTHALMIC | unapproved drug other | 19 sections |