Stem definition | Drug id | CAS RN |
---|---|---|
2050 | 65-49-6 |
Dose | Unit | Route |
---|---|---|
12 | g | O |
14 | g | O |
14 | g | P |
15 | g | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 142.85 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 2 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 1306.01 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Date | Agency | Company | Orphan |
---|---|---|---|
March 8, 1950 | FDA | CONSOLIDATED MIDLAND |
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 |
---|---|---|---|---|---|---|
Colitis ulcerative | 386.24 | 29.28 | 108 | 2791 | 20953 | 53325214 |
Off label use | 137.85 | 29.28 | 147 | 2752 | 472065 | 52874102 |
Frequent bowel movements | 130.33 | 29.28 | 43 | 2856 | 14369 | 53331798 |
Drug resistance | 112.94 | 29.28 | 42 | 2857 | 19920 | 53326247 |
Electrocardiogram QT prolonged | 93.05 | 29.28 | 50 | 2849 | 56353 | 53289814 |
Mucous stools | 62.07 | 29.28 | 17 | 2882 | 3009 | 53343158 |
Diarrhoea haemorrhagic | 60.13 | 29.28 | 21 | 2878 | 8299 | 53337868 |
Pancreatitis | 57.32 | 29.28 | 34 | 2865 | 46108 | 53300059 |
Lipase increased | 53.97 | 29.28 | 20 | 2879 | 9358 | 53336809 |
Anaemia | 51.67 | 29.28 | 69 | 2830 | 276649 | 53069518 |
Rectal haemorrhage | 50.04 | 29.28 | 30 | 2869 | 41451 | 53304716 |
Haematochezia | 49.46 | 29.28 | 30 | 2869 | 42328 | 53303839 |
Therapeutic reaction time decreased | 49.29 | 29.28 | 12 | 2887 | 1335 | 53344832 |
Polyneuropathy | 43.99 | 29.28 | 19 | 2880 | 13214 | 53332953 |
Neuropathy peripheral | 42.44 | 29.28 | 39 | 2860 | 103148 | 53243019 |
Myelosuppression | 41.27 | 29.28 | 18 | 2881 | 12810 | 53333357 |
Herbal toxicity | 34.24 | 29.28 | 5 | 2894 | 31 | 53346136 |
Tuberculosis | 33.88 | 29.28 | 15 | 2884 | 11056 | 53335111 |
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 |
---|---|---|---|---|---|---|
Colitis ulcerative | 252.56 | 30.34 | 81 | 2515 | 16970 | 32493960 |
Electrocardiogram QT prolonged | 229.54 | 30.34 | 94 | 2502 | 39547 | 32471383 |
Off label use | 190.26 | 30.34 | 171 | 2425 | 306149 | 32204781 |
Tuberculosis | 160.54 | 30.34 | 49 | 2547 | 8680 | 32502250 |
Hepatotoxicity | 125.88 | 30.34 | 50 | 2546 | 19287 | 32491643 |
Drug resistance | 101.21 | 30.34 | 45 | 2551 | 22920 | 32488010 |
Intentional product use issue | 75.33 | 30.34 | 45 | 2551 | 42166 | 32468764 |
Neuropathy peripheral | 65.59 | 30.34 | 52 | 2544 | 76930 | 32434000 |
Frequent bowel movements | 63.38 | 30.34 | 25 | 2571 | 9427 | 32501503 |
Myelosuppression | 58.27 | 30.34 | 25 | 2571 | 11651 | 32499279 |
Blood pressure fluctuation | 42.58 | 30.34 | 24 | 2572 | 20111 | 32490819 |
Faecal calprotectin increased | 39.52 | 30.34 | 11 | 2585 | 1401 | 32509529 |
Polyneuropathy | 37.04 | 30.34 | 19 | 2577 | 13196 | 32497734 |
Gastrointestinal inflammation | 34.53 | 30.34 | 12 | 2584 | 3172 | 32507758 |
Source | Code | Description |
---|---|---|
ATC | J04AA01 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Aminosalicylic acid and derivatives |
ATC | J04AA02 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Aminosalicylic acid and derivatives |
ATC | J04AA03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Aminosalicylic acid and derivatives |
MeSH PA | D000900 | Anti-Bacterial Agents |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D000995 | Antitubercular Agents |
CHEBI has role | CHEBI:33231 | antitubercular |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Acute tuberculosis | indication | 25629007 | |
Pulmonary tuberculosis | indication | 154283005 | DOID:2957 |
Crohn's disease | off-label use | 34000006 | |
Ulcerative colitis | off-label use | 64766004 | DOID:8577 |
Goiter | contraindication | 3716002 | DOID:12176 |
Peptic ulcer | contraindication | 13200003 | DOID:750 |
Hypokalemia | contraindication | 43339004 | |
Crystalluria | contraindication | 46784006 | |
Chronic heart failure | contraindication | 48447003 | |
Acidosis | contraindication | 51387008 | |
Duodenal ulcer disease | contraindication | 51868009 | DOID:1724 |
Kidney disease | contraindication | 90708001 | DOID:557 |
Anemia due to enzyme deficiency | contraindication | 111577008 | |
Deficiency of glucose-6-phosphate dehydrogenase | contraindication | 124134002 | DOID:2862 |
Cobalamin deficiency | contraindication | 190634004 | |
Disease of liver | contraindication | 235856003 | DOID:409 |
Gastric ulcer | contraindication | 397825006 | DOID:10808 |
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 3.71 | acidic |
pKa2 | 12.94 | acidic |
pKa3 | 2.33 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
Tyrosine-protein phosphatase non-receptor type 1 | Enzyme | Kd | 2.92 | CHEMBL | |||||
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | Kinase | WOMBAT-PK |
ID | Source |
---|---|
4018852 | VUID |
N0000180192 | NUI |
D00162 | KEGG_DRUG |
133-09-5 | SECONDARY_CAS_RN |
4018852 | VANDF |
4018919 | VANDF |
C0030125 | UMLSCUI |
CHEBI:27565 | CHEBI |
BHA | PDB_CHEM_ID |
CHEMBL1169 | ChEMBL_ID |
CHEMBL1200584 | ChEMBL_ID |
CHEMBL2105983 | ChEMBL_ID |
CHEMBL2096646 | ChEMBL_ID |
CHEMBL1200966 | ChEMBL_ID |
D010131 | MESH_DESCRIPTOR_UI |
DB00233 | DRUGBANK_ID |
5B2658E0N2 | UNII |
4649 | PUBCHEM_CID |
7833 | RXNORM |
10002 | MMSL |
4176 | MMSL |
d01099 | MMSL |
d04226 | MMSL |
002845 | NDDF |
002846 | NDDF |
002847 | NDDF |
20231007 | SNOMEDCT_US |
255666002 | SNOMEDCT_US |
417238004 | SNOMEDCT_US |
65222005 | SNOMEDCT_US |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
Paser | HUMAN PRESCRIPTION DRUG LABEL | 1 | 49938-107 | GRANULE, DELAYED RELEASE | 4 g | ORAL | ANDA | 21 sections |