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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4610 | 57-50-1 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK1,NTRK2,PDK2,PDK4,PIK3CD,PRKDC,SIK2,STK33,TEK | 25 | |||
| kinase-selectivity-class | ACVRL1,AXL,CDK1,CDK2,CDK4,CHUK,IRAK4,MAP2K6,MAP3K14,PDK1,PIK3CD,ZAP70 | 12 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
| 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 |
|---|---|---|---|---|---|---|
| Product dose omission issue | 29.13 | 21.21 | 37 | 2342 | 291650 | 90334418 |
| 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 | 172.89 | 30.67 | 58 | 3466 | 13398 | 42604413 |
| Appendicitis | 152.29 | 30.67 | 59 | 3465 | 20554 | 42597257 |
| Blood phosphorus increased | 122.26 | 30.67 | 44 | 3480 | 12481 | 42605330 |
| Ventricular fibrillation | 121.22 | 30.67 | 56 | 3468 | 30067 | 42587744 |
| Cardiogenic shock | 109.30 | 30.67 | 55 | 3469 | 35585 | 42582226 |
| Myasthenia gravis | 107.91 | 30.67 | 43 | 3481 | 16094 | 42601717 |
| Abdominal distension | 104.35 | 30.67 | 68 | 3456 | 71667 | 42546144 |
| Ascites | 100.68 | 30.67 | 61 | 3463 | 56617 | 42561194 |
| Blood uric acid increased | 99.01 | 30.67 | 40 | 3484 | 15507 | 42602304 |
| Stress | 98.14 | 30.67 | 55 | 3469 | 44157 | 42573654 |
| Dry mouth | 92.30 | 30.67 | 51 | 3473 | 39828 | 42577983 |
| Blood cholesterol increased | 75.34 | 30.67 | 39 | 3485 | 26702 | 42591109 |
| Hyperphosphataemia | 71.06 | 30.67 | 30 | 3494 | 12974 | 42604837 |
| Incorrect route of product administration | 64.32 | 30.67 | 34 | 3490 | 24271 | 42593540 |
| Multiple organ dysfunction syndrome | 63.13 | 30.67 | 57 | 3467 | 96978 | 42520833 |
| Abdominal pain | 63.10 | 30.67 | 78 | 3446 | 190393 | 42427418 |
| Hyponatraemia | 62.89 | 30.67 | 58 | 3466 | 101404 | 42516407 |
| Neuralgia | 59.84 | 30.67 | 33 | 3491 | 25614 | 42592197 |
| Constipation | 54.57 | 30.67 | 67 | 3457 | 162224 | 42455587 |
| Hypophosphataemia | 54.56 | 30.67 | 29 | 3495 | 20916 | 42596895 |
| General physical health deterioration | 51.74 | 30.67 | 63 | 3461 | 151183 | 42466628 |
| Swelling | 45.33 | 30.67 | 37 | 3487 | 54848 | 42562963 |
| Bacteroides infection | 44.78 | 30.67 | 14 | 3510 | 2573 | 42615238 |
| Sleep disorder therapy | 44.76 | 30.67 | 18 | 3506 | 6876 | 42610935 |
| Bacterial infection | 44.32 | 30.67 | 28 | 3496 | 27851 | 42589960 |
| Sleep disorder | 43.07 | 30.67 | 34 | 3490 | 48061 | 42569750 |
| Analgesic therapy | 42.24 | 30.67 | 17 | 3507 | 6507 | 42611304 |
| Somnolence | 39.13 | 30.67 | 53 | 3471 | 141052 | 42476759 |
| Aortic stenosis | 37.44 | 30.67 | 17 | 3507 | 8728 | 42609083 |
| Total lung capacity decreased | 36.53 | 30.67 | 13 | 3511 | 3557 | 42614254 |
| Diabetes mellitus | 36.48 | 30.67 | 34 | 3490 | 60053 | 42557758 |
| Thrombosis | 36.37 | 30.67 | 36 | 3488 | 68475 | 42549336 |
| Drug therapy | 35.77 | 30.67 | 15 | 3509 | 6365 | 42611446 |
| Chronic obstructive pulmonary disease | 33.19 | 30.67 | 33 | 3491 | 63081 | 42554730 |
| Activated partial thromboplastin time prolonged | 33.10 | 30.67 | 19 | 3505 | 15884 | 42601927 |
| Ulcer | 32.52 | 30.67 | 19 | 3505 | 16422 | 42601389 |
| Intentional product misuse | 31.88 | 30.67 | 32 | 3492 | 61868 | 42555943 |
| 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 | 199.11 | 21.76 | 58 | 5381 | 14197 | 110569663 |
| Appendicitis | 163.43 | 21.76 | 59 | 5380 | 28405 | 110555455 |
| Ventricular fibrillation | 132.02 | 21.76 | 56 | 5383 | 41257 | 110542603 |
| Blood phosphorus increased | 129.10 | 21.76 | 43 | 5396 | 16297 | 110567563 |
| Myasthenia gravis | 121.25 | 21.76 | 44 | 5395 | 21467 | 110562393 |
| Cardiogenic shock | 111.45 | 21.76 | 55 | 5384 | 57283 | 110526577 |
| Blood uric acid increased | 106.47 | 21.76 | 40 | 5399 | 21489 | 110562371 |
| Abdominal distension | 100.73 | 21.76 | 77 | 5362 | 175026 | 110408834 |
| Ascites | 99.41 | 21.76 | 60 | 5379 | 92748 | 110491112 |
| Stress | 92.42 | 21.76 | 60 | 5379 | 105288 | 110478572 |
| Hyperphosphataemia | 79.40 | 21.76 | 30 | 5409 | 16351 | 110567509 |
| Neuralgia | 69.71 | 21.76 | 38 | 5401 | 48440 | 110535420 |
| Multiple organ dysfunction syndrome | 66.59 | 21.76 | 57 | 5382 | 151653 | 110432207 |
| Abdominal pain | 59.34 | 21.76 | 97 | 5342 | 512892 | 110070968 |
| Constipation | 59.10 | 21.76 | 80 | 5359 | 357706 | 110226154 |
| Hypophosphataemia | 56.15 | 21.76 | 29 | 5410 | 33153 | 110550707 |
| Incorrect route of product administration | 54.94 | 21.76 | 36 | 5403 | 64025 | 110519835 |
| Sleep disorder therapy | 52.44 | 21.76 | 18 | 5421 | 7453 | 110576407 |
| Dry mouth | 51.44 | 21.76 | 56 | 5383 | 199892 | 110383968 |
| Hyponatraemia | 50.92 | 21.76 | 58 | 5381 | 217595 | 110366265 |
| Bacteroides infection | 50.28 | 21.76 | 14 | 5425 | 2905 | 110580955 |
| Analgesic therapy | 49 | 21.76 | 17 | 5422 | 7267 | 110576593 |
| Thrombosis | 48.00 | 21.76 | 41 | 5398 | 108621 | 110475239 |
| Bacterial infection | 47.28 | 21.76 | 29 | 5410 | 46007 | 110537853 |
| Drug therapy | 41.38 | 21.76 | 15 | 5424 | 7276 | 110576584 |
| Diabetes mellitus | 40.86 | 21.76 | 36 | 5403 | 99345 | 110484515 |
| Aortic stenosis | 39.36 | 21.76 | 17 | 5422 | 13042 | 110570818 |
| Activated partial thromboplastin time prolonged | 39.14 | 21.76 | 20 | 5419 | 22348 | 110561512 |
| Chronic obstructive pulmonary disease | 37.96 | 21.76 | 36 | 5403 | 109122 | 110474738 |
| Somnolence | 35.32 | 21.76 | 57 | 5382 | 297392 | 110286468 |
| Sepsis | 35.21 | 21.76 | 60 | 5379 | 327286 | 110256574 |
| Total lung capacity decreased | 34.36 | 21.76 | 13 | 5426 | 7101 | 110576759 |
| End stage renal disease | 31.32 | 21.76 | 17 | 5422 | 21456 | 110562404 |
| Therapeutic reaction time decreased | 30.48 | 21.76 | 11 | 5428 | 5268 | 110578592 |
| Intentional product misuse | 28.67 | 21.76 | 34 | 5405 | 132870 | 110450990 |
| General physical health deterioration | 28.66 | 21.76 | 64 | 5375 | 425231 | 110158629 |
| Gout | 27.62 | 21.76 | 19 | 5420 | 36547 | 110547313 |
| Blood cholesterol increased | 26.98 | 21.76 | 39 | 5400 | 184746 | 110399114 |
| Anticoagulant therapy | 26.63 | 21.76 | 10 | 5429 | 5351 | 110578509 |
| Antacid therapy | 26.41 | 21.76 | 10 | 5429 | 5474 | 110578386 |
| Blood calcium increased | 25.53 | 21.76 | 14 | 5425 | 18026 | 110565834 |
| Testicular haemorrhage | 25.00 | 21.76 | 5 | 5434 | 248 | 110583612 |
| Sleep disorder | 24.84 | 21.76 | 39 | 5400 | 198605 | 110385255 |
| Ulcer | 24.81 | 21.76 | 19 | 5420 | 43097 | 110540763 |
| Troponin increased | 23.75 | 21.76 | 16 | 5423 | 29750 | 110554110 |
| Off label use | 22.58 | 21.76 | 138 | 5301 | 1500047 | 109083813 |
| Lung opacity | 22.08 | 21.76 | 11 | 5428 | 11641 | 110572219 |
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D005421 | Flavoring Agents |
| MeSH PA | D005503 | Food Additives |
| MeSH PA | D013549 | Sweetening Agents |
| CHEBI has role | CHEBI:25728 | osmolyte |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:50505 | sweetening agent |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:75772 | <em>Saccharomyces cerevisiae </em> metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
| CHEBI has role | CHEBI:77746 | human metabolite |
| CHEBI has role | CHEBI:84735 | algal metabolite |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.07 | acidic |
| pKa2 | 13.11 | acidic |
| pKa3 | 13.8 | acidic |
None
None
None
| ID | Source |
|---|---|
| D00025 | KEGG_DRUG |
| 4019358 | VUID |
| N0000147528 | NUI |
| 4019358 | VANDF |
| CHEBI:17992 | CHEBI |
| SUC | PDB_CHEM_ID |
| CHEMBL253582 | ChEMBL_ID |
| 5411 | IUPHAR_LIGAND_ID |
| DB02772 | DRUGBANK_ID |
| C151H8M554 | UNII |
| 10159 | RXNORM |
| NOCODE | MMSL |
| 002598 | NDDF |
| 11320009 | SNOMEDCT_US |
| 9745007 | SNOMEDCT_US |
| C0038636 | UMLSCUI |
| D013395 | MESH_DESCRIPTOR_UI |
| 5988 | PUBCHEM_CID |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Select Brand Anti-Nausea | HUMAN OTC DRUG LABEL | 2 | 15127-291 | SOLUTION | 3.74 g | ORAL | unapproved drug other | 11 sections |
| Emetrol Cherry | HUMAN OTC DRUG LABEL | 2 | 68788-9801 | SOLUTION | 3.74 g | ORAL | Unapproved drug other | 13 sections |
| GZE GODDESS SUGAR SCRUB | HUMAN OTC DRUG LABEL | 1 | 74458-216 | CAPSULE | 15 g | TOPICAL | OTC Monograph Drug | 10 sections |
| GZE GODDESS SUGAR SCRUB | HUMAN OTC DRUG LABEL | 1 | 74458-217 | GRANULE | 15 g | TOPICAL | OTC Monograph Drug | 10 sections |
| AOAO Kojic Acid Whitening Lightener | HUMAN OTC DRUG LABEL | 6 | 84509-035 | SOAP | 1600 mg | TOPICAL | OTC Monograph Drug | 9 sections |
| AOAO Kojic Acid Whitening Lightener | HUMAN OTC DRUG LABEL | 6 | 84509-049 | SOAP | 1600 mg | TOPICAL | OTC Monograph Drug | 9 sections |