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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1444 | 87-89-8 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK2,PDK2,PDK4,PIK3CD,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK | 33 | |||
| kinase-selectivity-class | ACVRL1,AURKB,AXL,BMX,CDK1,CDK16,CDK2,CDK3,CDK4,CDK6,CDK7,CDK8,CDK9,CHUK,DYRK1A,EPHB4,IGF1R,INSR,IRAK1,IRAK3,IRAK4,MAP2K6,MAP3K14,MAP3K21,PDK1,PIK3CB,PIK3CD,PRKDC,TEK,TGFBR1,ZAP70 | 31 | |||
| 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 |
|---|---|---|---|---|---|---|
| Lip dry | 74.84 | 32.79 | 53 | 4679 | 100902 | 90522813 |
| Back disorder | 67.85 | 32.79 | 31 | 4701 | 25600 | 90598115 |
| C-reactive protein abnormal | 65.96 | 32.79 | 54 | 4678 | 127375 | 90496340 |
| Incorrect route of product administration | 55.59 | 32.79 | 34 | 4698 | 50592 | 90573123 |
| Dislocation of vertebra | 54.94 | 32.79 | 35 | 4697 | 55933 | 90567782 |
| Adjustment disorder with depressed mood | 54.49 | 32.79 | 35 | 4697 | 56718 | 90566997 |
| Injury | 51.03 | 32.79 | 57 | 4675 | 197292 | 90426423 |
| Breast cancer stage II | 50.07 | 32.79 | 28 | 4704 | 35306 | 90588409 |
| Rheumatoid factor positive | 48.59 | 32.79 | 52 | 4680 | 171598 | 90452117 |
| Oedema | 43.67 | 32.79 | 53 | 4679 | 200242 | 90423473 |
| Musculoskeletal pain | 40.09 | 32.79 | 47 | 4685 | 171204 | 90452511 |
| Prescribed underdose | 37.12 | 32.79 | 31 | 4701 | 74988 | 90548727 |
| Amnesia | 36.33 | 32.79 | 36 | 4696 | 108469 | 90515246 |
| Delirium | 35.64 | 32.79 | 35 | 4697 | 104324 | 90519391 |
| Anti-cyclic citrullinated peptide antibody positive | 35.29 | 32.79 | 52 | 4680 | 236381 | 90387334 |
| Joint range of motion decreased | 34.72 | 32.79 | 39 | 4693 | 135604 | 90488111 |
| Peripheral venous disease | 34.11 | 32.79 | 31 | 4701 | 83890 | 90539825 |
| Prescribed overdose | 33.82 | 32.79 | 33 | 4699 | 97592 | 90526123 |
| Fluid retention | 32.82 | 32.79 | 31 | 4701 | 88060 | 90535655 |
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 |
|---|---|---|---|---|---|---|
| Lip dry | 85.84 | 46.63 | 56 | 5329 | 100027 | 110483887 |
| Back disorder | 79.42 | 46.63 | 32 | 5353 | 20890 | 110563024 |
| Needle fatigue | 78.65 | 46.63 | 17 | 5368 | 1247 | 110582667 |
| Gait spastic | 75.21 | 46.63 | 17 | 5368 | 1532 | 110582382 |
| C-reactive protein abnormal | 72.76 | 46.63 | 56 | 5329 | 129639 | 110454275 |
| Relapsing-remitting multiple sclerosis | 70.20 | 46.63 | 17 | 5368 | 2065 | 110581849 |
| Dislocation of vertebra | 68.04 | 46.63 | 36 | 5349 | 43685 | 110540229 |
| Adjustment disorder with depressed mood | 67.92 | 46.63 | 36 | 5349 | 43847 | 110540067 |
| Rheumatoid factor positive | 67.70 | 46.63 | 54 | 5331 | 131586 | 110452328 |
| Injury | 65.21 | 46.63 | 60 | 5325 | 177205 | 110406709 |
| Breast cancer stage II | 58.65 | 46.63 | 28 | 5357 | 27347 | 110556567 |
| Monoparesis | 57.02 | 46.63 | 17 | 5368 | 4536 | 110579378 |
| Hypertonic bladder | 54.47 | 46.63 | 17 | 5368 | 5285 | 110578629 |
| Anti-cyclic citrullinated peptide antibody positive | 52.64 | 46.63 | 54 | 5331 | 181930 | 110401984 |
| Incorrect route of product administration | 50.43 | 46.63 | 34 | 5351 | 64027 | 110519887 |
| Oedema | 49.65 | 46.63 | 56 | 5329 | 209920 | 110373994 |
| Discomfort | 48.63 | 46.63 | 56 | 5329 | 214651 | 110369263 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A11HA07 | ALIMENTARY TRACT AND METABOLISM VITAMINS OTHER PLAIN VITAMIN PREPARATIONS Other plain vitamin preparations |
| MeSH PA | D014803 | Vitamin B Complex |
| MeSH PA | D014815 | Vitamins |
| MeSH PA | D018977 | Micronutrients |
| CHEBI has role | CHEBI:23366 | compatible osmolytes |
| CHEBI has role | CHEBI:33284 | nutrient |
| CHEBI has role | CHEBI:64763 | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
| 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:83056 | <em>Daphnia magna</em> metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypercholesterolemia | indication | 13644009 | |
| Hypoalphalipoproteinemia | indication | 190785000 | |
| Mixed hyperlipidemia | indication | 267434003 | |
| Hypertriglyceridemia | indication | 302870006 | |
| Pellagra | indication | 418186002 | DOID:8457 |
| Niacin deficiency | indication | 418279001 | |
| Slow Progression of Coronary Artery Disease | indication | ||
| Myocardial Reinfarction Prevention | indication | ||
| Hyperlipidemia | off-label use | 55822004 | DOID:1168 |
| Hypophosphatemia | contraindication | 4996001 | |
| Alcoholism | contraindication | 7200002 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Acute cerebrovascular insufficiency | contraindication | 29322000 | |
| Low blood pressure | contraindication | 45007003 | |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Hyperglycemia | contraindication | 80394007 | DOID:4195 |
| Gout | contraindication | 90560007 | DOID:13189 |
| Liver function tests abnormal | contraindication | 166603001 | |
| Cerebrovascular accident | contraindication | 230690007 | |
| Arterial hemorrhage | contraindication | 234003006 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Pregnancy, function | contraindication | 289908002 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Acute coronary syndrome | contraindication | 394659003 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Cerebral infarction | contraindication | 432504007 | DOID:3526 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.21 | acidic |
| pKa2 | 13.31 | acidic |
| pKa3 | 13.71 | acidic |
None
None
None
| ID | Source |
|---|---|
| 4017688 | VUID |
| N0000146062 | NUI |
| D08079 | KEGG_DRUG |
| 4017688 | VANDF |
| C0021547 | UMLSCUI |
| CHEBI:17268 | CHEBI |
| INS | PDB_CHEM_ID |
| CHEMBL1222251 | ChEMBL_ID |
| DB13178 | DRUGBANK_ID |
| D007294 | MESH_DESCRIPTOR_UI |
| 892 | PUBCHEM_CID |
| 10437 | INN_ID |
| 4L6452S749 | UNII |
| 5833 | RXNORM |
| 4879 | MMSL |
| 5751 | MMSL |
| d00496 | MMSL |
| 002057 | NDDF |
| 108960004 | SNOMEDCT_US |
| 72164009 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Lipovite | HUMAN PRESCRIPTION DRUG LABEL | 13 | 70104-128 | INJECTION | 1 mg | INTRAMUSCULAR | unapproved drug other | 1 sections |
| MIC B12 | HUMAN PRESCRIPTION DRUG LABEL | 4 | 70104-806 | INJECTION | 1 mg | INTRAMUSCULAR | unapproved drug other | 1 sections |
| NEONATAL PLUS VITAMIN | HUMAN PRESCRIPTION DRUG LABEL | 17 | 70898-115 | TABLET | 5 mg | ORAL | unapproved drug other | 9 sections |
| One Natal Rx | HUMAN PRESCRIPTION DRUG LABEL | 17 | 82568-0141 | TABLET | 5 mg | ORAL | unapproved drug other | 4 sections |
| Deep Repair DARK SPOT | HUMAN OTC DRUG LABEL | 5 | 84867-001 | CREAM | 1000 mg | CUTANEOUS | OTC Monograph Drug | 10 sections |
| HANYWIL Deep Repair DARK SPOT | HUMAN OTC DRUG LABEL | 5 | 84867-002 | CREAM | 1000 mg | CUTANEOUS | OTC Monograph Drug | 11 sections |
| HANYWIL-DARK SPOT | HUMAN OTC DRUG LABEL | 5 | 84867-003 | CREAM | 1000 mg | CUTANEOUS | OTC Monograph Drug | 11 sections |
| HANYWIL DARK SPOT | HUMAN OTC DRUG LABEL | 5 | 84867-004 | SOLUTION, GEL FORMING / DROPS | 1500 mg | CUTANEOUS | OTC Monograph Drug | 11 sections |