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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1257 | 67-45-8 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.04 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GRK3,GSK3B,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MARK4,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,STK33,SYK,TEK,TTK | 41 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,DDR1,DYRK1B,GRK2,GSK3B,IRAK1,MAP2K6,MAP3K14,MAPK1,MAPK7,MARK4,MET,PRKDC,STK33,SYK,TEK,TTK,UHMK1 | 20 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 20, 1958 | FDA | SHIRE |
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 |
|---|---|---|---|---|---|---|
| Appendicolith | 358.12 | 222.49 | 118 | 6671 | 13338 | 42601208 |
| Blood phosphorus increased | 346.06 | 222.49 | 113 | 6676 | 12412 | 42602134 |
| Myasthenia gravis | 325.61 | 222.49 | 115 | 6674 | 16022 | 42598524 |
| Appendicitis | 319.75 | 222.49 | 121 | 6668 | 20492 | 42594054 |
| Hyperphosphataemia | 274.99 | 222.49 | 96 | 6693 | 12908 | 42601638 |
| Ventricular fibrillation | 265.64 | 222.49 | 118 | 6671 | 30005 | 42584541 |
| Stress | 254.26 | 222.49 | 129 | 6660 | 44083 | 42570463 |
| Analgesic therapy | 234.56 | 222.49 | 72 | 6717 | 6452 | 42608094 |
| Cardiogenic shock | 234.52 | 222.49 | 114 | 6675 | 35526 | 42579020 |
| Blood uric acid increased | 229.22 | 222.49 | 88 | 6701 | 15459 | 42599087 |
| Hypophosphataemia | 227.12 | 222.49 | 95 | 6694 | 20850 | 42593696 |
| Sleep disorder therapy | 226.46 | 222.49 | 71 | 6718 | 6823 | 42607723 |
| Drug therapy | 223.40 | 222.49 | 69 | 6720 | 6311 | 42608235 |
| Incorrect route of product administration | 223.20 | 222.49 | 98 | 6691 | 24207 | 42590339 |
| Bacterial infection | 222.83 | 222.49 | 102 | 6687 | 27777 | 42586769 |
| 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 |
|---|---|---|---|---|---|---|
| Appendicolith | 485.07 | 172.00 | 125 | 7357 | 14130 | 110567687 |
| Blood phosphorus increased | 444.52 | 172.00 | 120 | 7362 | 16220 | 110565597 |
| Myasthenia gravis | 420.74 | 172.00 | 122 | 7360 | 21389 | 110560428 |
| Appendicitis | 412.17 | 172.00 | 128 | 7354 | 28336 | 110553481 |
| Hyperphosphataemia | 365.59 | 172.00 | 103 | 7379 | 16278 | 110565539 |
| Ventricular fibrillation | 353.86 | 172.00 | 125 | 7357 | 41188 | 110540629 |
| Analgesic therapy | 323.00 | 172.00 | 79 | 7403 | 7205 | 110574612 |
| Sleep disorder therapy | 315.95 | 172.00 | 78 | 7404 | 7393 | 110574424 |
| Drug therapy | 307.72 | 172.00 | 76 | 7406 | 7215 | 110574602 |
| Blood uric acid increased | 303.94 | 172.00 | 95 | 7387 | 21434 | 110560383 |
| Cardiogenic shock | 300.06 | 172.00 | 121 | 7361 | 57217 | 110524600 |
| Hypophosphataemia | 290.18 | 172.00 | 102 | 7380 | 33080 | 110548737 |
| Bacterial infection | 282.39 | 172.00 | 109 | 7373 | 45927 | 110535890 |
| Stress | 273.27 | 172.00 | 136 | 7346 | 105212 | 110476605 |
| Ascites | 265.17 | 172.00 | 128 | 7354 | 92680 | 110489137 |
| Neuralgia | 262.92 | 172.00 | 105 | 7377 | 48373 | 110533444 |
| Multiple organ dysfunction syndrome | 239.85 | 172.00 | 141 | 7341 | 151569 | 110430248 |
| Incorrect route of product administration | 231.50 | 172.00 | 104 | 7378 | 63957 | 110517860 |
| Antacid therapy | 230.56 | 172.00 | 57 | 7425 | 5427 | 110576390 |
| Anticoagulant therapy | 216.73 | 172.00 | 54 | 7428 | 5307 | 110576510 |
| Activated partial thromboplastin time prolonged | 211.82 | 172.00 | 73 | 7409 | 22295 | 110559522 |
| Diabetes mellitus | 207.69 | 172.00 | 111 | 7371 | 99270 | 110482547 |
| Iron deficiency | 205.30 | 172.00 | 68 | 7414 | 18408 | 110563409 |
| Abdominal distension | 196.61 | 172.00 | 131 | 7351 | 174972 | 110406845 |
| Thrombosis | 192.96 | 172.00 | 109 | 7373 | 108553 | 110473264 |
| Hyponatraemia | 191.07 | 172.00 | 140 | 7342 | 217513 | 110364304 |
| End stage renal disease | 187.60 | 172.00 | 66 | 7416 | 21407 | 110560410 |
| Chronic obstructive pulmonary disease | 179.08 | 172.00 | 104 | 7378 | 109054 | 110472763 |
None
| Source | Code | Description |
|---|---|---|
| ATC | G01AX06 | GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Other antiinfectives and antiseptics |
| ATC | P01AB51 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES Nitroimidazole derivatives |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000891 | Anti-Infective Agents, Local |
| MeSH PA | D000892 | Anti-Infective Agents, Urinary |
| MeSH PA | D000977 | Antiparasitic Agents |
| MeSH PA | D000981 | Antiprotozoal Agents |
| MeSH PA | D000994 | Antitrichomonal Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D008996 | Monoamine Oxidase Inhibitors |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:38623 | EC 1.4.3.4 (monoamine oxidase) inhibitor |
| CHEBI has role | CHEBI:50685 | antitrichomonal drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Deficiency of glucose-6-phosphate dehydrogenase | contraindication | 124134002 | DOID:2862 |
| Species | Use | Relation |
|---|---|---|
| Dogs | Prevention of bacterial infection of superficial wounds, abrasions, lacerations, and pyogenic dermatitis | Indication |
| Horses | Prevention of bacterial infection of superficial wounds, abrasions, lacerations, and following firing (heat or electrocautery) | Indication |
| Product | Applicant | Ingredients |
|---|---|---|
| Furox Aerosol Powder, Topazone Aerosol Powder | Kinetic Technologies LLC | 1 |
| Furall | Farnam Companies Inc. | 1 |
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.72 | Basic |
None
None
None
| ID | Source |
|---|---|
| 4018877 | VUID |
| N0000147172 | NUI |
| D00830 | KEGG_DRUG |
| 4018877 | VANDF |
| C0016855 | UMLSCUI |
| CHEBI:5195 | CHEBI |
| FUR | PDB_CHEM_ID |
| CHEMBL1103 | ChEMBL_ID |
| DB00614 | DRUGBANK_ID |
| D005664 | MESH_DESCRIPTOR_UI |
| 5323714 | PUBCHEM_CID |
| 12343 | IUPHAR_LIGAND_ID |
| 273 | INN_ID |
| 5J9CPU3RE0 | UNII |
| 224944 | RXNORM |
| 416 | MMSL |
| 4768 | MMSL |
| d00243 | MMSL |
| 002855 | NDDF |
| 416556006 | SNOMEDCT_US |
| 91314000 | SNOMEDCT_US |
None