Stem definition | Drug id | CAS RN |
---|---|---|
692 | 2030-63-9 |
Dose | Unit | Route |
---|---|---|
0.10 | g | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 0.00 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 0.20 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 7.03 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 57 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Date | Agency | Company | Orphan |
---|---|---|---|
Dec. 15, 1986 | FDA | NOVARTIS |
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 |
---|---|---|---|---|---|---|
Electrocardiogram QT prolonged | 463.91 | 28.31 | 172 | 4423 | 54416 | 56233056 |
Drug resistance | 125.10 | 28.31 | 51 | 4544 | 20491 | 56266981 |
Neuropathy peripheral | 102.52 | 28.31 | 77 | 4518 | 102816 | 56184656 |
Anaemia | 93.84 | 28.31 | 112 | 4483 | 267399 | 56020073 |
Hepatotoxicity | 89.93 | 28.31 | 46 | 4549 | 31107 | 56256365 |
Tuberculosis | 79.71 | 28.31 | 31 | 4564 | 10998 | 56276474 |
Vomiting | 76.09 | 28.31 | 141 | 4454 | 498087 | 55789385 |
Off label use | 72.26 | 28.31 | 147 | 4448 | 556033 | 55731439 |
Optic neuropathy | 71.96 | 28.31 | 19 | 4576 | 1941 | 56285531 |
Type 2 lepra reaction | 70.04 | 28.31 | 10 | 4585 | 31 | 56287441 |
Skin hyperpigmentation | 56.79 | 28.31 | 20 | 4575 | 5377 | 56282095 |
Mycobacterial infection | 55.15 | 28.31 | 15 | 4580 | 1715 | 56285757 |
Polyneuropathy | 55.02 | 28.31 | 25 | 4570 | 13025 | 56274447 |
Skin discolouration | 53.75 | 28.31 | 34 | 4561 | 34322 | 56253150 |
Respiratory failure | 52.99 | 28.31 | 51 | 4544 | 95011 | 56192461 |
Intentional product use issue | 52.78 | 28.31 | 52 | 4543 | 99681 | 56187791 |
Drug reaction with eosinophilia and systemic symptoms | 47.42 | 28.31 | 30 | 4565 | 30274 | 56257198 |
Myelosuppression | 45.26 | 28.31 | 24 | 4571 | 17431 | 56270041 |
Product use in unapproved indication | 44.38 | 28.31 | 56 | 4539 | 140766 | 56146706 |
Aspartate aminotransferase increased | 43.56 | 28.31 | 43 | 4552 | 82559 | 56204913 |
Pulmonary tuberculosis | 37.43 | 28.31 | 14 | 4581 | 4462 | 56283010 |
Alanine aminotransferase increased | 33.95 | 28.31 | 40 | 4555 | 93622 | 56193850 |
Haemoptysis | 33.53 | 28.31 | 23 | 4572 | 26537 | 56260935 |
Meningitis tuberculous | 33.37 | 28.31 | 8 | 4587 | 552 | 56286920 |
Herbal toxicity | 32.20 | 28.31 | 5 | 4590 | 31 | 56287441 |
Ototoxicity | 32.05 | 28.31 | 9 | 4586 | 1157 | 56286315 |
Mycobacterium abscessus infection | 31.88 | 28.31 | 8 | 4587 | 668 | 56286804 |
Drug-induced liver injury | 30.31 | 28.31 | 24 | 4571 | 34438 | 56253034 |
Pathogen resistance | 30.13 | 28.31 | 13 | 4582 | 5987 | 56281485 |
Tinnitus | 28.76 | 28.31 | 22 | 4573 | 30020 | 56257452 |
Pyelonephritis chronic | 28.32 | 28.31 | 6 | 4589 | 236 | 56287236 |
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 |
---|---|---|---|---|---|---|
Electrocardiogram QT prolonged | 575.02 | 26.77 | 220 | 4974 | 37767 | 31654383 |
Type 2 lepra reaction | 273.43 | 26.77 | 48 | 5146 | 316 | 31691834 |
Tuberculosis | 207.35 | 26.77 | 70 | 5124 | 8271 | 31683879 |
Hepatotoxicity | 189.42 | 26.77 | 82 | 5112 | 19044 | 31673106 |
Neuropathy peripheral | 126.15 | 26.77 | 102 | 5092 | 75547 | 31616603 |
Intentional product use issue | 123.62 | 26.77 | 85 | 5109 | 49262 | 31642888 |
Off label use | 105.20 | 26.77 | 196 | 4998 | 347078 | 31345072 |
Anaemia | 68.65 | 26.77 | 124 | 5070 | 213398 | 31478752 |
Deafness | 66.40 | 26.77 | 33 | 5161 | 10432 | 31681718 |
Ototoxicity | 65.13 | 26.77 | 20 | 5174 | 1738 | 31690412 |
Drug resistance | 64.83 | 26.77 | 43 | 5151 | 23410 | 31668740 |
Skin hyperpigmentation | 62.37 | 26.77 | 22 | 5172 | 2949 | 31689201 |
Incorrect product administration duration | 61.42 | 26.77 | 24 | 5170 | 4278 | 31687872 |
Type 1 lepra reaction | 56.04 | 26.77 | 9 | 5185 | 31 | 31692119 |
Vomiting | 49.09 | 26.77 | 111 | 5083 | 223862 | 31468288 |
Product use in unapproved indication | 47.29 | 26.77 | 69 | 5125 | 99102 | 31593048 |
Nausea | 42.20 | 26.77 | 128 | 5066 | 307819 | 31384331 |
Tinnitus | 40.57 | 26.77 | 28 | 5166 | 16247 | 31675903 |
Optic neuropathy | 40.41 | 26.77 | 14 | 5180 | 1779 | 31690371 |
Aspartate aminotransferase increased | 39.53 | 26.77 | 50 | 5144 | 62669 | 31629481 |
Acoustic neuroma | 37.55 | 26.77 | 8 | 5186 | 157 | 31691993 |
Drug-induced liver injury | 36.60 | 26.77 | 31 | 5163 | 24332 | 31667818 |
Hypertriglyceridaemia | 36.32 | 26.77 | 20 | 5174 | 7778 | 31684372 |
Lepromatous leprosy | 36.08 | 26.77 | 7 | 5187 | 84 | 31692066 |
Myelosuppression | 35.62 | 26.77 | 25 | 5169 | 14895 | 31677255 |
Optic neuritis | 35.27 | 26.77 | 15 | 5179 | 3315 | 31688835 |
Deafness neurosensory | 34.74 | 26.77 | 14 | 5180 | 2702 | 31689448 |
HIV infection | 34.01 | 26.77 | 12 | 5182 | 1608 | 31690542 |
Polyneuropathy | 33.86 | 26.77 | 23 | 5171 | 12999 | 31679151 |
Pulmonary tuberculosis | 33.30 | 26.77 | 16 | 5178 | 4695 | 31687455 |
Blood sodium decreased | 30.50 | 26.77 | 23 | 5171 | 15292 | 31676858 |
Toxic optic neuropathy | 29.22 | 26.77 | 9 | 5185 | 789 | 31691361 |
Oral candidiasis | 27.46 | 26.77 | 19 | 5175 | 11058 | 31681092 |
Mycobacterium abscessus infection | 27.19 | 26.77 | 8 | 5186 | 600 | 31691550 |
Iridocyclitis | 27.06 | 26.77 | 10 | 5184 | 1530 | 31690620 |
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 |
---|---|---|---|---|---|---|
Electrocardiogram QT prolonged | 964.29 | 21.52 | 379 | 9385 | 83138 | 70835542 |
Type 2 lepra reaction | 338.51 | 21.52 | 57 | 9707 | 346 | 70918334 |
Hepatotoxicity | 260.21 | 21.52 | 125 | 9639 | 43861 | 70874819 |
Neuropathy peripheral | 254.00 | 21.52 | 178 | 9586 | 126718 | 70791962 |
Tuberculosis | 208.40 | 21.52 | 78 | 9686 | 14770 | 70903910 |
Drug resistance | 179.84 | 21.52 | 93 | 9671 | 38097 | 70880583 |
Off label use | 167.53 | 21.52 | 335 | 9429 | 742725 | 70175955 |
Intentional product use issue | 161.50 | 21.52 | 133 | 9631 | 120009 | 70798671 |
Anaemia | 148.24 | 21.52 | 226 | 9538 | 403197 | 70515483 |
Optic neuropathy | 109.60 | 21.52 | 33 | 9731 | 3200 | 70915480 |
Skin hyperpigmentation | 104.21 | 21.52 | 38 | 9726 | 6677 | 70912003 |
Vomiting | 103.92 | 21.52 | 242 | 9522 | 592869 | 70325811 |
Deafness | 93.67 | 21.52 | 48 | 9716 | 19255 | 70899425 |
Polyneuropathy | 88.98 | 21.52 | 48 | 9716 | 21367 | 70897313 |
Incorrect product administration duration | 83.40 | 21.52 | 37 | 9727 | 10787 | 70907893 |
Ototoxicity | 82.66 | 21.52 | 26 | 9738 | 2915 | 70915765 |
Myelosuppression | 76.22 | 21.52 | 49 | 9715 | 30096 | 70888584 |
Type 1 lepra reaction | 75.59 | 21.52 | 12 | 9752 | 47 | 70918633 |
Product use in unapproved indication | 75.53 | 21.52 | 116 | 9648 | 207362 | 70711318 |
Aspartate aminotransferase increased | 75.24 | 21.52 | 90 | 9674 | 126888 | 70791792 |
Skin discolouration | 69.01 | 21.52 | 50 | 9714 | 37275 | 70881405 |
Tinnitus | 63.57 | 21.52 | 47 | 9717 | 36129 | 70882551 |
Pulmonary tuberculosis | 61.03 | 21.52 | 27 | 9737 | 7818 | 70910862 |
Mycobacterial infection | 58.84 | 21.52 | 21 | 9743 | 3467 | 70915213 |
Optic neuritis | 57.76 | 21.52 | 27 | 9737 | 8873 | 70909807 |
Drug-induced liver injury | 56.90 | 21.52 | 53 | 9711 | 56060 | 70862620 |
Drug reaction with eosinophilia and systemic symptoms | 55.40 | 21.52 | 53 | 9711 | 57960 | 70860720 |
Mycobacterium abscessus infection | 51.71 | 21.52 | 15 | 9749 | 1277 | 70917403 |
Meningitis tuberculous | 48.37 | 21.52 | 14 | 9750 | 1183 | 70917497 |
Lepromatous leprosy | 48.35 | 21.52 | 9 | 9755 | 103 | 70918577 |
Alanine aminotransferase increased | 46.12 | 21.52 | 77 | 9687 | 147403 | 70771277 |
Respiratory failure | 46.11 | 21.52 | 83 | 9681 | 168652 | 70750028 |
Nausea | 45.61 | 21.52 | 234 | 9530 | 851854 | 70066826 |
HIV infection | 41.80 | 21.52 | 13 | 9751 | 1404 | 70917276 |
Toxic optic neuropathy | 40.57 | 21.52 | 12 | 9752 | 1094 | 70917586 |
Pain | 40.54 | 21.52 | 18 | 9746 | 628798 | 70289882 |
Hypokalaemia | 40.35 | 21.52 | 68 | 9696 | 131120 | 70787560 |
Psychotic disorder | 38.96 | 21.52 | 36 | 9728 | 37665 | 70881015 |
Haemoptysis | 38.13 | 21.52 | 41 | 9723 | 51411 | 70867269 |
Hypertriglyceridaemia | 36.96 | 21.52 | 22 | 9742 | 11789 | 70906891 |
Deafness neurosensory | 36.59 | 21.52 | 18 | 9746 | 6614 | 70912066 |
Fall | 35.03 | 21.52 | 9 | 9755 | 444087 | 70474593 |
Acoustic neuroma | 34.56 | 21.52 | 8 | 9756 | 278 | 70918402 |
Pneumothorax | 33.35 | 21.52 | 28 | 9736 | 25818 | 70892862 |
Hypoacusis | 32.05 | 21.52 | 28 | 9736 | 27241 | 70891439 |
Treatment noncompliance | 30.86 | 21.52 | 35 | 9729 | 46539 | 70872141 |
Bicytopenia | 28.57 | 21.52 | 13 | 9751 | 4015 | 70914665 |
Cardiopulmonary failure | 28.39 | 21.52 | 15 | 9749 | 6395 | 70912285 |
Malnutrition | 28.28 | 21.52 | 23 | 9741 | 20294 | 70898386 |
Vestibular disorder | 28.26 | 21.52 | 11 | 9753 | 2309 | 70916371 |
Transaminases increased | 27.26 | 21.52 | 33 | 9731 | 46985 | 70871695 |
Decreased appetite | 27.26 | 21.52 | 98 | 9666 | 304682 | 70613998 |
Electrolyte imbalance | 26.50 | 21.52 | 25 | 9739 | 26836 | 70891844 |
Infective pulmonary exacerbation of cystic fibrosis | 26.44 | 21.52 | 18 | 9746 | 12140 | 70906540 |
Blood sodium decreased | 25.28 | 21.52 | 26 | 9738 | 30972 | 70887708 |
Oral candidiasis | 24.19 | 21.52 | 23 | 9741 | 24929 | 70893751 |
Pyelonephritis chronic | 24.18 | 21.52 | 6 | 9758 | 281 | 70918399 |
Tuberculoid leprosy | 23.67 | 21.52 | 5 | 9759 | 113 | 70918567 |
Drug hypersensitivity | 23.38 | 21.52 | 4 | 9760 | 262455 | 70656225 |
Steroid dependence | 23.15 | 21.52 | 7 | 9757 | 688 | 70917992 |
Herbal toxicity | 23.13 | 21.52 | 4 | 9760 | 29 | 70918651 |
Pathogen resistance | 22.75 | 21.52 | 17 | 9747 | 13262 | 70905418 |
Poor feeding infant | 22.67 | 21.52 | 5 | 9759 | 139 | 70918541 |
Hypomagnesaemia | 22.64 | 21.52 | 28 | 9736 | 40736 | 70877944 |
Facial paralysis | 22.59 | 21.52 | 20 | 9744 | 19788 | 70898892 |
Immune reconstitution inflammatory syndrome associated tuberculosis | 21.92 | 21.52 | 7 | 9757 | 823 | 70917857 |
None
Source | Code | Description |
---|---|---|
ATC | J04BA01 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF LEPRA Drugs for treatment of lepra |
FDA EPC | N0000175483 | Antimycobacterial |
CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory agent |
CHEBI has role | CHEBI:35816 | leprostatic drugs |
CHEBI has role | CHEBI:37958 | dyes |
MeSH PA | D000900 | Anti-Bacterial Agents |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D000893 | Anti-Inflammatory Agents |
MeSH PA | D007917 | Leprostatic Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Pyoderma gangrenosum | indication | 74578003 | DOID:8553 |
Leprosy | indication | 81004002 | DOID:1024 |
Erythema nodosum leprosum | indication | 240411003 | |
Multibacillary leprosy | indication | 416257001 | |
Dapsone resistant leprosy | indication | 416597004 | |
Mycobacteriosis | off-label use | 88415009 | |
Nausea and vomiting | contraindication | 16932000 | |
Splenic infarction | contraindication | 22996003 | DOID:2533 |
Disorder of digestive system | contraindication | 53619000 | DOID:77 |
Diarrhea | contraindication | 62315008 | |
Gastrointestinal hemorrhage | contraindication | 74474003 | |
Gastrointestinal obstruction | contraindication | 126765001 | |
Disease of liver | contraindication | 235856003 | DOID:409 |
Breastfeeding (mother) | contraindication | 413712001 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.81 | Basic |
pKa2 | 5.53 | Basic |
pKa3 | 2.07 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Uncharacterized oxidoreductase CzcO-like | Enzyme | WOMBAT-PK | |||||||
Cruzipain | Enzyme | IC50 | 5.22 | CHEMBL |
ID | Source |
---|---|
4019504 | VUID |
N0000147624 | NUI |
D00278 | KEGG_DRUG |
203021 | RXNORM |
4019504 | VANDF |
C0008996 | UMLSCUI |
CHEBI:3749 | CHEBI |
CHEMBL1292 | ChEMBL_ID |
D002991 | MESH_DESCRIPTOR_UI |
DB00845 | DRUGBANK_ID |
9184 | IUPHAR_LIGAND_ID |
2248 | INN_ID |
D959AE5USF | UNII |
2794 | PUBCHEM_CID |
1685 | MMSL |
4473 | MMSL |
d01121 | MMSL |
003007 | NDDF |
387410004 | SNOMEDCT_US |
72924009 | SNOMEDCT_US |
None