Stem definition | Drug id | CAS RN |
---|---|---|
2834 | 83-88-5 |
None
Property | Value | Reference |
---|---|---|
EoM (Fraction excreted unchanged in urine) | 75 % | Benet LZ, Broccatelli F, Oprea TI |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.33 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
S (Water solubility) | 0.09 mg/mL | Bocci G, Oprea TI, Benet LZ |
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 |
---|---|---|---|---|---|---|
Pemphigus | 1777.11 | 10.31 | 4404 | 526666 | 179322 | 62778630 |
Systemic lupus erythematosus | 1676.98 | 10.31 | 4671 | 526399 | 204247 | 62753705 |
Glossodynia | 1484.22 | 10.31 | 4049 | 527021 | 174827 | 62783125 |
Hand deformity | 1209.92 | 10.31 | 3495 | 527575 | 155962 | 62801990 |
Arthropathy | 1122.03 | 10.31 | 4404 | 526666 | 230388 | 62727564 |
Abdominal discomfort | 1042.12 | 10.31 | 5366 | 525704 | 315519 | 62642433 |
Alopecia | 1032.13 | 10.31 | 5551 | 525519 | 331985 | 62625967 |
Wound | 1002.99 | 10.31 | 3325 | 527745 | 159938 | 62798014 |
Completed suicide | 958.42 | 10.31 | 67 | 531003 | 145606 | 62812346 |
Rheumatoid arthritis | 892.96 | 10.31 | 4343 | 526727 | 249476 | 62708476 |
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 |
---|---|---|---|---|---|---|
Rheumatoid arthritis | 550.92 | 10.27 | 830 | 182399 | 37408 | 34736294 |
Drug abuse | 377.49 | 10.27 | 40 | 183189 | 99056 | 34674646 |
Toxicity to various agents | 303.94 | 10.27 | 362 | 182867 | 200000 | 34573702 |
Completed suicide | 277.00 | 10.27 | 85 | 183144 | 98083 | 34675619 |
Foetal exposure during pregnancy | 266.83 | 10.27 | 606 | 182623 | 37495 | 34736207 |
Arthralgia | 230.59 | 10.27 | 1603 | 181626 | 168438 | 34605264 |
Psoriatic arthropathy | 194.25 | 10.27 | 362 | 182867 | 19436 | 34754266 |
Drug interaction | 185.58 | 10.27 | 588 | 182641 | 225358 | 34548344 |
Sickle cell anaemia with crisis | 141.50 | 10.27 | 138 | 183091 | 3915 | 34769787 |
Joint swelling | 138.79 | 10.27 | 652 | 182577 | 59238 | 34714464 |
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 |
---|---|---|---|---|---|---|
Rheumatoid arthritis | 1219.58 | 9.99 | 3649 | 539514 | 204821 | 78996404 |
Completed suicide | 1169.13 | 9.99 | 148 | 543015 | 245619 | 78955606 |
Toxicity to various agents | 1019.99 | 9.99 | 826 | 542337 | 420714 | 78780511 |
Arthropathy | 968.08 | 9.99 | 3028 | 540135 | 174083 | 79027142 |
Pemphigus | 946.63 | 9.99 | 2094 | 541069 | 97488 | 79103737 |
Systemic lupus erythematosus | 943.06 | 9.99 | 2356 | 540807 | 118793 | 79082432 |
Joint swelling | 928.37 | 9.99 | 4160 | 539003 | 284486 | 78916739 |
Hand deformity | 918.55 | 9.99 | 2123 | 541040 | 101796 | 79099429 |
Synovitis | 890.95 | 9.99 | 2649 | 540514 | 148085 | 79053140 |
Glossodynia | 825.68 | 9.99 | 2030 | 541133 | 101307 | 79099918 |
None
Source | Code | Description |
---|---|---|
ATC | A11HA04 | ALIMENTARY TRACT AND METABOLISM VITAMINS OTHER PLAIN VITAMIN PREPARATIONS Other plain vitamin preparations |
ATC | S01XA26 | SENSORY ORGANS OPHTHALMOLOGICALS OTHER OPHTHALMOLOGICALS Other ophthalmologicals |
CHEBI has role | CHEBI:22586 | antioxidants |
CHEBI has role | CHEBI:23357 | cofactor |
CHEBI has role | CHEBI:47868 | photosensitising agent |
CHEBI has role | CHEBI:67079 | anti-inflammatory agents |
CHEBI has role | CHEBI:75771 | Mus musculus metabolites |
CHEBI has role | CHEBI:76924 | plant metabolites |
CHEBI has role | CHEBI:76971 | Escherichia coli metabolites |
CHEBI has role | CHEBI:77182 | food coloring |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Vitamin deficiency | indication | 85670002 | |
Mineral deficiency | indication | 111379007 | |
Vitamin Deficiency Prevention | indication | ||
Mineral Deficiency Prevention | indication | ||
Glutaric aciduria, type 2 | off-label use | 22886006 | DOID:0060358 |
Glutaric aciduria, type 1 | off-label use | 76175005 | |
Migraine Prevention | off-label use | ||
Necrotizing enterocolitis in fetus OR newborn | contraindication | 2707005 | |
Alcoholism | contraindication | 7200002 | |
Peptic ulcer | contraindication | 13200003 | DOID:750 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 10.13 | acidic |
pKa2 | 11.89 | acidic |
pKa3 | 13.48 | acidic |
pKa4 | 2.49 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Flavin reductase (NADPH) | Enzyme | WOMBAT-PK | |||||||
Riboflavin kinase | Kinase | WOMBAT-PK | |||||||
Riboflavin-binding protein | Unclassified | Kd | 8.30 | CHEMBL |
ID | Source |
---|---|
RBF | PDB_CHEM_ID |
001059 | NDDF |
13235001 | SNOMEDCT_US |
329260009 | SNOMEDCT_US |
4017633 | VANDF |
4017778 | VUID |
4017778 | VANDF |
4021901 | VANDF |
419 | INN_ID |
493570 | PUBCHEM_CID |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
BACMIN | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0682-3001 | TABLET, COATED | 20 mg | ORAL | UNAPPROVED DRUG OTHER | 10 sections |
CitraNatal 90 DHA | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0178-0821 | TABLET | 3.40 mg | ORAL | unapproved drug other | 11 sections |
CitraNatal 90 DHA | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0178-0821 | TABLET | 3.40 mg | ORAL | unapproved drug other | 11 sections |
CitraNatal DHA | HUMAN OTC DRUG LABEL | 14 | 0178-0898 | TABLET | 3.40 mg | ORAL | Unapproved drug other | 11 sections |
CitraNatal Rx | HUMAN PRESCRIPTION DRUG LABEL | 13 | 0178-0858 | TABLET | 3.40 mg | ORAL | Unapproved drug other | 12 sections |
CitraNatal Rx | HUMAN PRESCRIPTION DRUG LABEL | 14 | 0178-0859 | TABLET | 3.40 mg | ORAL | Unapproved drug other | 9 sections |
Dialyvite | HUMAN PRESCRIPTION DRUG LABEL | 9 | 10542-010 | TABLET, COATED | 1.70 mg | ORAL | Unapproved drug other | 7 sections |
Dialyvite | HUMAN PRESCRIPTION DRUG LABEL | 9 | 10542-010 | TABLET, COATED | 1.70 mg | ORAL | Unapproved drug other | 7 sections |
Dialyvite 5000 | HUMAN PRESCRIPTION DRUG LABEL | 12 | 10542-011 | TABLET, COATED | 1.70 mg | ORAL | Unapproved drug other | 7 sections |
Dialyvite 5000 | HUMAN PRESCRIPTION DRUG LABEL | 12 | 10542-011 | TABLET, COATED | 1.70 mg | ORAL | Unapproved drug other | 7 sections |