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| Stem definition | Drug id | CAS RN |
|---|---|---|
| NO2 - derivatives | 2770 | 7077-34-1 |
| Dose | Unit | Route |
|---|---|---|
| 20 | mg | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK1,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 66 | |||
| kinase-selectivity-class | AURKB,AXL,BRAF,CAMK2D,CDK1,CDK16,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,GSK3B,IRAK1,IRAK3,JAK2,MAP2K6,MAP3K21,MAPK1,MAPK7,MARK4,MET,MTOR,PDK4,PRKDC,SIK2,STK33,SYK,TEK,TTK,UHMK1,ULK1 | 33 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C01DA09 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY VASODILATORS USED IN CARDIAC DISEASES Organic nitrates |
| ATC | C01DA59 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY VASODILATORS USED IN CARDIAC DISEASES Organic nitrates |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Vascular headache | off-label use | 128187005 | |
| Fibromyalgia | off-label use | 203082005 | DOID:631 |
| Heart valve disorder | contraindication | 368009 | DOID:4079 |
| Necrotizing enterocolitis in fetus OR newborn | contraindication | 2707005 | |
| Delirium | contraindication | 2776000 | |
| Ocular hypertension | contraindication | 4210003 | DOID:9282 |
| Gastritis | contraindication | 4556007 | DOID:4029 |
| Hypophosphatemia | contraindication | 4996001 | |
| Gilles de la Tourette's syndrome | contraindication | 5158005 | DOID:11119 |
| Tachyarrhythmia | contraindication | 6285003 | |
| Suicidal thoughts | contraindication | 6471006 | |
| Dependent drug abuse | contraindication | 6525002 | |
| Alcoholism | contraindication | 7200002 | |
| Alcohol withdrawal delirium | contraindication | 8635005 | |
| Hyperammonemia | contraindication | 9360008 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Bipolar disorder | contraindication | 13746004 | DOID:3312 |
| Asthenia | contraindication | 13791008 | |
| Hepatic encephalopathy | contraindication | 13920009 | DOID:13413 |
| Hyperkalemia | contraindication | 14140009 | |
| Constipation | contraindication | 14760008 | DOID:2089 |
| Chronic disease of respiratory system | contraindication | 17097001 | |
| Mood swings | contraindication | 18963009 | |
| Lowered convulsive threshold | contraindication | 19260006 | |
| Cirrhosis of liver | contraindication | 19943007 | DOID:5082 |
| Ataxia | contraindication | 20262006 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Glaucoma | contraindication | 23986001 | DOID:1686 |
| Feeling agitated | contraindication | 24199005 | |
| Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
| Ventricular tachycardia | contraindication | 25569003 | |
| Alcohol intoxication | contraindication | 25702006 | |
| Complete atrioventricular block | contraindication | 27885002 | |
| Shock | contraindication | 27942005 | |
| Hypovolemia | contraindication | 28560003 | |
| Orthostatic hypotension | contraindication | 28651003 | |
| Acute cerebrovascular insufficiency | contraindication | 29322000 | |
| Hypercapnia | contraindication | 29596007 | |
| Sarcoidosis | contraindication | 31541009 | DOID:11335 |
| Dehydration | contraindication | 34095006 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Depressive disorder | contraindication | 35489007 | |
| 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 |
| Myxedema | contraindication | 43153006 | DOID:11634 |
| Body fluid retention | contraindication | 43498006 | |
| Hyperactive behavior | contraindication | 44548000 | |
| Fecal impaction | contraindication | 44635007 | |
| 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 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Acidosis | contraindication | 51387008 | |
| Vitamin K deficiency | contraindication | 52675005 | DOID:11249 |
| Nasal polyp | contraindication | 52756005 | |
| Coronary arteriosclerosis | contraindication | 53741008 | DOID:3393 |
| Systemic lupus erythematosus | contraindication | 55464009 | DOID:9074 |
| Paralytic ileus | contraindication | 55525008 | DOID:8442 |
| Anorexia nervosa | contraindication | 56882008 | DOID:8689 |
| Congenital myotonia, autosomal dominant form | contraindication | 57938005 | |
| Schizophrenia | contraindication | 58214004 | DOID:5419 |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Aggressive behavior | contraindication | 61372001 | |
| Diarrhea | contraindication | 62315008 | |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Poisoning by phenobarbital | contraindication | 64921004 | |
| Arterial thrombosis | contraindication | 65198009 | |
| Drug AND/OR toxin-induced diarrhea | contraindication | 65979008 | |
| Substance abuse | contraindication | 66214007 | |
| Hypercalcemia | contraindication | 66931009 | DOID:12678 |
| Hypermagnesemia | contraindication | 66978005 | |
| Hyperparathyroidism | contraindication | 66999008 | DOID:13543 |
| Benign intracranial hypertension | contraindication | 68267002 | DOID:11459 |
| Psychotic disorder | contraindication | 69322001 | |
| Hemorrhoids | contraindication | 70153002 | DOID:9746 |
| Poisoning by acetaminophen | contraindication | 70273001 | |
| Agoraphobia | contraindication | 70691001 | DOID:593 |
| Pulmonary hypertension | contraindication | 70995007 | DOID:6432 |
| Arteriosclerotic vascular disease | contraindication | 72092001 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Sleep apnea | contraindication | 73430006 | DOID:0050847 |
| 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 |
| Open-angle glaucoma | contraindication | 84494001 | DOID:1067 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Leukopenia | contraindication | 84828003 | DOID:615 |
| Autoimmune disease | contraindication | 85828009 | |
| Cardiomyopathy | contraindication | 85898001 | DOID:0050700 |
| Pulmonary emphysema | contraindication | 87433001 | |
| Weight loss | contraindication | 89362005 | |
| Gout | contraindication | 90560007 | DOID:13189 |
| Chronic renal failure syndrome | contraindication | 90688005 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Thyrotoxicosis | contraindication | 90739004 | DOID:7997 |
| Hemophilia | contraindication | 90935002 | |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Obstruction of duodenum | contraindication | 95532008 | DOID:3558 |
| Kidney stone | contraindication | 95570007 | |
| Disorder of biliary tract | contraindication | 105997008 | DOID:9741 |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Prolonged QT interval | contraindication | 111975006 | |
| Acute abdominal pain | contraindication | 116290004 | |
| Procedure on urinary system | contraindication | 118677009 | |
| 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 |
| Infectious disease of central nervous system | contraindication | 128117002 | |
| Acute disease of cardiovascular system | contraindication | 128487001 | |
| Structural disorder of heart | contraindication | 128599005 | |
| Seizure disorder | contraindication | 128613002 | |
| Prolonged PR interval | contraindication | 164947007 | |
| Liver function tests abnormal | contraindication | 166603001 | |
| Alcohol withdrawal syndrome | contraindication | 191480000 | |
| Drug-induced psychosis | contraindication | 191483003 | DOID:1742 |
| Obsessive-compulsive disorder | contraindication | 191736004 | DOID:10933 |
| Angina pectoris | contraindication | 194828000 | |
| Partial atrioventricular block | contraindication | 195039008 | |
| Decompensated cardiac failure | contraindication | 195111005 | |
| Acute pancreatitis | contraindication | 197456007 | DOID:2913 |
| Impaired renal function disorder | contraindication | 197663003 | |
| Osteolysis | contraindication | 203522001 | |
| Motor tic disorder | contraindication | 230337001 | |
| Cerebrovascular accident | contraindication | 230690007 | |
| Mania | contraindication | 231494001 | |
| Gastroesophageal reflux disease | contraindication | 235595009 | DOID:8534 |
| Gastroparesis | contraindication | 235675006 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Drug-induced hepatitis | contraindication | 235876009 | |
| Chronic diarrhea | contraindication | 236071009 | |
| Hyporeninemic hypoaldosteronism | contraindication | 236464008 | |
| Aluminum intoxication | contraindication | 236546003 | |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Morbid obesity | contraindication | 238136002 | DOID:11981 |
| Poisoning by opiate analgesic drug | contraindication | 241749009 | |
| Pyloric obstruction | contraindication | 244815007 | |
| Sleep automatism | contraindication | 247962006 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Dyspnea | contraindication | 267036007 | |
| Retention of urine | contraindication | 267064002 | |
| Suicidal | contraindication | 267073005 | |
| Raised intracranial pressure | contraindication | 271719001 | DOID:9428 |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Cerebral trauma | contraindication | 275382005 | |
| Exacerbation of asthma | contraindication | 281239006 | |
| Pregnancy, function | contraindication | 289908002 | |
| Lesion of brain | contraindication | 301766008 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Peripheral nerve disease | contraindication | 302226006 | |
| Pheochromocytoma | contraindication | 302835009 | |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Familial hyperkalemic periodic paralysis | contraindication | 304737009 | DOID:14451 |
| Bone marrow depression | contraindication | 307762000 | |
| Drug withdrawal | contraindication | 363101005 | |
| Serotonin syndrome | contraindication | 371089000 | |
| Panic disorder | contraindication | 371631005 | DOID:594 |
| Coma | contraindication | 371632003 | |
| Primary adrenocortical insufficiency | contraindication | 373662000 | |
| Operation on gastrointestinal tract | contraindication | 386621005 | |
| Impaired cognition | contraindication | 386806002 | |
| Hypoxia | contraindication | 389086002 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Cardiovascular event risk | contraindication | 395112001 | |
| Visual impairment | contraindication | 397540003 | |
| Pseudomembranous enterocolitis | contraindication | 397683000 | |
| Vertigo | contraindication | 399153001 | |
| Peripheral vascular disease | contraindication | 400047006 | |
| Respiratory insufficiency | contraindication | 409623005 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Chronic myocardial ischemia | contraindication | 413844008 | DOID:3393 |
| 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 | |
| Unconscious | contraindication | 418107008 | |
| Porphyria | contraindication | 418470004 | |
| Ultrarapid metabolizer due to cytochrome p450 CYP2D6 variant | contraindication | 422681000 | |
| Dysfunction of sphincter of Oddi | contraindication | 430887001 | |
| Congenital long QT syndrome | contraindication | 442917000 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Acute erosive gastritis | contraindication | 444926003 | |
| Severe dehydration | contraindication | 450316000 | |
| Acute exacerbation of asthma | contraindication | 708038006 | |
| Vitamin K Deficiency Induced Hypoprothrombinemia | contraindication | ||
| Cardiac Decompensation | contraindication | ||
| Severe Bone Marrow Depression | contraindication | ||
| Psychiatric Disturbance | contraindication | ||
| Organic Cardiac Disease | contraindication | ||
| Benzodiazepine Toxicity | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.98 | Basic |
None
None
None
| ID | Source |
|---|---|
| 588-42-1 | SECONDARY_CAS_RN |
| C0077377 | UMLSCUI |
| CHEBI:135172 | CHEBI |
| CHEMBL2111164 | ChEMBL_ID |
| CHEMBL3989711 | ChEMBL_ID |
| DB13719 | DRUGBANK_ID |
| C005873 | MESH_SUPPLEMENTAL_RECORD_UI |
| 11499 | PUBCHEM_CID |
| 741 | INN_ID |
| B9M85U075P | UNII |
| 000690 | NDDF |
| 004530 | NDDF |
| 56227008 | SNOMEDCT_US |
| B9M85U075P | INXIGHT DRUGS |
None