Stem definition | Drug id | CAS RN |
---|---|---|
antivirals | 869 | 69655-05-6 |
Dose | Unit | Route |
---|---|---|
0.40 | g | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 27.30 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 55 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 24.19 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 38 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 0.77 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 11 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.95 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 1.40 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Oct. 9, 1991 | FDA | BRISTOL MYERS SQUIBB |
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 |
---|---|---|---|---|---|---|
Pregnancy | 383.22 | 105.10 | 101 | 1386 | 32932 | 56257648 |
Viral mutation identified | 372.63 | 105.10 | 60 | 1427 | 1654 | 56288926 |
Foetal exposure during pregnancy | 333.42 | 105.10 | 91 | 1396 | 33732 | 56256848 |
Drug resistance | 252.87 | 105.10 | 66 | 1421 | 20476 | 56270104 |
Caesarean section | 175.33 | 105.10 | 47 | 1440 | 16044 | 56274536 |
Pathogen resistance | 133.04 | 105.10 | 31 | 1456 | 5969 | 56284611 |
Abortion induced | 128.13 | 105.10 | 33 | 1454 | 9612 | 56280968 |
Premature delivery | 106.23 | 105.10 | 36 | 1451 | 27024 | 56263556 |
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 |
---|---|---|---|---|---|---|
Lipodystrophy acquired | 771.11 | 60 | 145 | 2472 | 3119 | 31691608 |
Mitochondrial toxicity | 733.59 | 60 | 134 | 2483 | 2439 | 31692288 |
Eyelid ptosis | 656.17 | 60 | 138 | 2479 | 5317 | 31689410 |
Diplopia | 467.87 | 60 | 126 | 2491 | 14036 | 31680691 |
Progressive external ophthalmoplegia | 347.79 | 60 | 65 | 2552 | 1329 | 31693398 |
Foetal exposure during pregnancy | 343.76 | 60 | 128 | 2489 | 40748 | 31653979 |
Pinealoblastoma | 259.01 | 60 | 38 | 2579 | 149 | 31694578 |
Viral mutation identified | 220.09 | 60 | 50 | 2567 | 2719 | 31692008 |
Virologic failure | 213.44 | 60 | 50 | 2567 | 3115 | 31691612 |
Hepatic fibrosis | 168.42 | 60 | 43 | 2574 | 3831 | 31690896 |
Pathogen resistance | 167.60 | 60 | 51 | 2566 | 8650 | 31686077 |
Retinal toxicity | 158.83 | 60 | 28 | 2589 | 404 | 31694323 |
Ophthalmoplegia | 157.17 | 60 | 35 | 2582 | 1733 | 31692994 |
Drug resistance | 131.54 | 60 | 55 | 2562 | 23398 | 31671329 |
Drug-induced liver injury | 129.52 | 60 | 55 | 2562 | 24308 | 31670419 |
Portal hypertension | 80.99 | 60 | 24 | 2593 | 3701 | 31691026 |
Mitochondrial myopathy | 80.11 | 60 | 14 | 2603 | 191 | 31694536 |
Dysphagia | 79.92 | 60 | 53 | 2564 | 57623 | 31637104 |
Congenital neoplasm | 70.18 | 60 | 10 | 2607 | 30 | 31694697 |
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 |
---|---|---|---|---|---|---|
Lipodystrophy acquired | 876.18 | 59.20 | 154 | 3150 | 4062 | 70921078 |
Mitochondrial toxicity | 820.79 | 59.20 | 138 | 3166 | 2772 | 70922368 |
Eyelid ptosis | 632.22 | 59.20 | 135 | 3169 | 9967 | 70915173 |
Viral mutation identified | 578.84 | 59.20 | 106 | 3198 | 3516 | 70921624 |
Diplopia | 448.33 | 59.20 | 125 | 3179 | 28022 | 70897118 |
Progressive external ophthalmoplegia | 384.31 | 59.20 | 65 | 3239 | 1339 | 70923801 |
Drug resistance | 343.11 | 59.20 | 109 | 3195 | 38081 | 70887059 |
Virologic failure | 272.08 | 59.20 | 57 | 3247 | 3793 | 70921347 |
Pathogen resistance | 267.13 | 59.20 | 71 | 3233 | 13208 | 70911932 |
Foetal exposure during pregnancy | 266.61 | 59.20 | 60 | 3244 | 5585 | 70919555 |
Pregnancy | 264.43 | 59.20 | 80 | 3224 | 23701 | 70901439 |
Retinal toxicity | 231.32 | 59.20 | 42 | 3262 | 1314 | 70923826 |
Hepatic fibrosis | 182.30 | 59.20 | 45 | 3259 | 6222 | 70918918 |
Ophthalmoplegia | 155.28 | 59.20 | 34 | 3270 | 2781 | 70922359 |
Caesarean section | 128.63 | 59.20 | 39 | 3265 | 11568 | 70913572 |
Drug-induced liver injury | 127.98 | 59.20 | 59 | 3245 | 56054 | 70869086 |
Abortion induced | 103.18 | 59.20 | 29 | 3275 | 6596 | 70918544 |
Multiple-drug resistance | 87.00 | 59.20 | 26 | 3278 | 7329 | 70917811 |
Mitochondrial myopathy | 83.20 | 59.20 | 14 | 3290 | 277 | 70924863 |
Dysphagia | 79.77 | 59.20 | 55 | 3249 | 112779 | 70812361 |
Pinealoblastoma | 77.92 | 59.20 | 11 | 3293 | 62 | 70925078 |
Premature delivery | 76.82 | 59.20 | 31 | 3273 | 21273 | 70903867 |
Retinoblastoma | 73.31 | 59.20 | 11 | 3293 | 100 | 70925040 |
Portal hypertension | 72.69 | 59.20 | 22 | 3282 | 6470 | 70918670 |
Live birth | 67.29 | 59.20 | 25 | 3279 | 13754 | 70911386 |
Stillbirth | 65.40 | 59.20 | 18 | 3286 | 3787 | 70921353 |
Lactic acidosis | 63.88 | 59.20 | 39 | 3265 | 64985 | 70860155 |
Dyslipidaemia | 63.65 | 59.20 | 22 | 3282 | 9838 | 70915302 |
Strongyloidiasis | 61.17 | 59.20 | 17 | 3287 | 3706 | 70921434 |
Abortion spontaneous | 60.77 | 59.20 | 28 | 3276 | 26451 | 70898689 |
Optic nerve neoplasm | 60.72 | 59.20 | 8 | 3296 | 24 | 70925116 |
Treatment failure | 59.42 | 59.20 | 51 | 3253 | 144091 | 70781049 |
None
Source | Code | Description |
---|---|---|
ATC | J05AF02 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIVIRALS FOR SYSTEMIC USE DIRECT ACTING ANTIVIRALS Nucleoside and nucleotide reverse transcriptase inhibitors |
FDA MoA | N0000009947 | Nucleoside Reverse Transcriptase Inhibitors |
FDA EXT | N0000175459 | Nucleoside Analog |
FDA EPC | N0000175462 | Human Immunodeficiency Virus Nucleoside Analog Reverse Transcriptase Inhibitor |
CHEBI has role | CHEBI:35221 | antimetabolite |
CHEBI has role | CHEBI:36044 | antiviral drugs |
CHEBI has role | CHEBI:53756 | reverse transcriptase inhibitors |
CHEBI has role | CHEBI:63090 | purine-nucleoside phosphorylase inhibitors |
CHEBI has role | CHEBI:176497 | geroprotectors |
MeSH PA | D019380 | Anti-HIV Agents |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D044966 | Anti-Retroviral Agents |
MeSH PA | D000963 | Antimetabolites |
MeSH PA | D000998 | Antiviral Agents |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D009676 | Noxae |
MeSH PA | D019384 | Nucleic Acid Synthesis Inhibitors |
MeSH PA | D018894 | Reverse Transcriptase Inhibitors |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Human immunodeficiency virus infection | indication | 86406008 | DOID:526 |
Prevention of HIV Infection after Exposure | off-label use | ||
Metabolic alkalosis | contraindication | 1388004 | |
Anuria | contraindication | 2472002 | DOID:2983 |
Hypophosphatemia | contraindication | 4996001 | |
Hypocalcemia | contraindication | 5291005 | |
Alcoholism | contraindication | 7200002 | |
Hypercholesterolemia | contraindication | 13644009 | |
Hyperkalemia | contraindication | 14140009 | |
Constipation | contraindication | 14760008 | DOID:2089 |
Pulmonary edema | contraindication | 19242006 | DOID:11396 |
Retinal disorder | contraindication | 29555009 | DOID:5679 |
Sarcoidosis | contraindication | 31541009 | DOID:11335 |
Dehydration | contraindication | 34095006 | |
Portal hypertension | contraindication | 34742003 | DOID:10762 |
Hyperuricemia | contraindication | 35885006 | DOID:1920 |
Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
Hypernatremia | contraindication | 39355002 | |
Fecal impaction | contraindication | 44635007 | |
Chronic heart failure | contraindication | 48447003 | |
Acute nephropathy | contraindication | 58574008 | |
Diarrhea | contraindication | 62315008 | |
Optic neuritis | contraindication | 66760008 | DOID:1210 |
Hypercalcemia | contraindication | 66931009 | DOID:12678 |
Hyperparathyroidism | contraindication | 66999008 | DOID:13543 |
Hemorrhoids | contraindication | 70153002 | DOID:9746 |
Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
Pancreatitis | contraindication | 75694006 | DOID:4989 |
Oliguria | contraindication | 83128009 | |
Kidney disease | contraindication | 90708001 | DOID:557 |
Lactic acidosis | contraindication | 91273001 | DOID:3650 |
Kidney stone | contraindication | 95570007 | |
Gastrointestinal obstruction | contraindication | 126765001 | |
Steatosis of liver | contraindication | 197321007 | |
Impaired renal function disorder | contraindication | 197663003 | |
Osteolysis | contraindication | 203522001 | |
Myocardial dysfunction | contraindication | 233928007 | |
Disease of liver | contraindication | 235856003 | DOID:409 |
Chronic diarrhea | contraindication | 236071009 | |
Aluminum intoxication | contraindication | 236546003 | |
Peripheral edema | contraindication | 271809000 | |
Peripheral nerve disease | contraindication | 302226006 | |
Hypertriglyceridemia | contraindication | 302870006 | |
Familial hyperkalemic periodic paralysis | contraindication | 304737009 | DOID:14451 |
Adrenal cortical hypofunction | contraindication | 386584007 | DOID:10493 |
Cardiovascular event risk | contraindication | 395112001 | |
Breastfeeding (mother) | contraindication | 413712001 | |
Disorder of coronary artery | contraindication | 414024009 | |
Obesity | contraindication | 414916001 | DOID:9970 |
Azotemia | contraindication | 445009001 | |
Smokes tobacco daily | contraindication | 449868002 | |
Severe dehydration | contraindication | 450316000 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.94 | acidic |
pKa2 | 12.68 | acidic |
pKa3 | 1.93 | Basic |
pKa4 | 0.76 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Reverse transcriptase/RNaseH | Enzyme | INHIBITOR | IC50 | 5.21 | WOMBAT-PK | CHEMBL |
ID | Source |
---|---|
4020118 | VUID |
N0000148104 | NUI |
D00296 | KEGG_DRUG |
152494 | RXNORM |
4020118 | VANDF |
C0012133 | UMLSCUI |
CHEBI:490877 | CHEBI |
2DI | PDB_CHEM_ID |
CHEMBL1460 | ChEMBL_ID |
DB00900 | DRUGBANK_ID |
D016049 | MESH_DESCRIPTOR_UI |
135398739 | PUBCHEM_CID |
4833 | IUPHAR_LIGAND_ID |
6664 | INN_ID |
K3GDH6OH08 | UNII |
4588 | MMSL |
63947 | MMSL |
854 | MMSL |
d00078 | MMSL |
003604 | NDDF |
19194001 | SNOMEDCT_US |
387105006 | SNOMEDCT_US |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
Didanosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 53808-0236 | CAPSULE, DELAYED RELEASE PELLETS | 250 mg | ORAL | ANDA | 27 sections |
Didanosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 53808-0353 | CAPSULE, DELAYED RELEASE PELLETS | 400 mg | ORAL | ANDA | 27 sections |
Didanosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 54868-5464 | CAPSULE, DELAYED RELEASE PELLETS | 250 mg | ORAL | ANDA | 28 sections |