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| Stem definition | Drug id | CAS RN |
|---|---|---|
| gastrointestinal lipase inhibitors | 1996 | 96829-58-2 |
| Dose | Unit | Route |
|---|---|---|
| 0.36 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 1 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 9.22 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 1 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 23, 1999 | FDA | HOFFMANN LA ROCHE |
| 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 |
|---|---|---|---|---|---|---|
| Steatorrhoea | 180.56 | 16.95 | 32 | 6649 | 536 | 90621230 |
| Cerebral venous thrombosis | 99.75 | 16.95 | 25 | 6656 | 2303 | 90619463 |
| Drug interaction | 83.15 | 16.95 | 102 | 6579 | 276351 | 90345415 |
| Thalamic infarction | 74.83 | 16.95 | 15 | 6666 | 497 | 90621269 |
| Cholelithiasis | 64.52 | 16.95 | 43 | 6638 | 52463 | 90569303 |
| Abdominal pain | 59.09 | 16.95 | 105 | 6576 | 395616 | 90226150 |
| Rectal discharge | 55.91 | 16.95 | 13 | 6668 | 872 | 90620894 |
| Acute hepatic failure | 44.46 | 16.95 | 25 | 6656 | 22536 | 90599230 |
| Rectal haemorrhage | 43.31 | 16.95 | 41 | 6640 | 82703 | 90539063 |
| Crystal nephropathy | 42.61 | 16.95 | 11 | 6670 | 1140 | 90620626 |
| Jaundice | 40.83 | 16.95 | 27 | 6654 | 32490 | 90589276 |
| Virologic failure | 39.69 | 16.95 | 12 | 6669 | 2212 | 90619554 |
| Kidney fibrosis | 39.64 | 16.95 | 12 | 6669 | 2222 | 90619544 |
| Oxalosis | 37.09 | 16.95 | 6 | 6675 | 56 | 90621710 |
| Hyperoxaluria | 36.48 | 16.95 | 7 | 6674 | 184 | 90621582 |
| Menopausal symptoms | 35.86 | 16.95 | 12 | 6669 | 3066 | 90618700 |
| Slow response to stimuli | 33.50 | 16.95 | 9 | 6672 | 1087 | 90620679 |
| Haematochezia | 31.26 | 16.95 | 32 | 6649 | 70881 | 90550885 |
| Abdominal pain upper | 30.24 | 16.95 | 72 | 6609 | 332602 | 90289164 |
| Renal tubular atrophy | 30.07 | 16.95 | 8 | 6673 | 932 | 90620834 |
| Nephropathy | 29.02 | 16.95 | 14 | 6667 | 9221 | 90612545 |
| Urine oxalate increased | 28.93 | 16.95 | 6 | 6675 | 236 | 90621530 |
| Crying | 26.76 | 16.95 | 19 | 6662 | 25626 | 90596140 |
| Dysarthria | 26.61 | 16.95 | 26 | 6655 | 54456 | 90567310 |
| Pancreatitis | 26.33 | 16.95 | 29 | 6652 | 69797 | 90551969 |
| Liver function test abnormal | 26.22 | 16.95 | 25 | 6656 | 50820 | 90570946 |
| Muscle spasticity | 25.47 | 16.95 | 21 | 6660 | 35301 | 90586465 |
| Oropharyngeal blistering | 24.66 | 16.95 | 7 | 6674 | 1036 | 90620730 |
| Pregnancy on oral contraceptive | 24.20 | 16.95 | 7 | 6674 | 1108 | 90620658 |
| Hepatic encephalopathy | 23.76 | 16.95 | 14 | 6667 | 13758 | 90608008 |
| Ear pain | 23.56 | 16.95 | 25 | 6656 | 57677 | 90564089 |
| Liver iron concentration abnormal | 23.10 | 16.95 | 4 | 6677 | 58 | 90621708 |
| Pancreatitis acute | 22.96 | 16.95 | 19 | 6662 | 32096 | 90589670 |
| Drug intolerance | 22.87 | 16.95 | 3 | 6678 | 447588 | 90174178 |
| Circulatory collapse | 22.69 | 16.95 | 17 | 6664 | 24887 | 90596879 |
| Lactic acidosis | 22.65 | 16.95 | 23 | 6658 | 50440 | 90571326 |
| Bradyphrenia | 22.30 | 16.95 | 11 | 6670 | 7601 | 90614165 |
| Acute kidney injury | 21.57 | 16.95 | 62 | 6619 | 320325 | 90301441 |
| Gallbladder disorder | 21.42 | 16.95 | 15 | 6666 | 19788 | 90601978 |
| Alanine aminotransferase increased | 21.02 | 16.95 | 34 | 6647 | 118304 | 90503462 |
| Diverticulitis | 21.02 | 16.95 | 21 | 6660 | 45166 | 90576600 |
| Abortion spontaneous | 19.60 | 16.95 | 22 | 6659 | 54034 | 90567732 |
| Nephrosclerosis | 19.55 | 16.95 | 6 | 6675 | 1163 | 90620603 |
| Chromaturia | 19.52 | 16.95 | 14 | 6667 | 19173 | 90602593 |
| Depressed mood | 19.17 | 16.95 | 21 | 6660 | 50201 | 90571565 |
| Vanishing bile duct syndrome | 18.60 | 16.95 | 6 | 6675 | 1366 | 90620400 |
| Faeces discoloured | 18.20 | 16.95 | 14 | 6667 | 21306 | 90600460 |
| Psychomotor retardation | 17.32 | 16.95 | 8 | 6673 | 4781 | 90616985 |
| Transposition of the great vessels | 17.19 | 16.95 | 4 | 6677 | 269 | 90621497 |
| Breast enlargement | 17.15 | 16.95 | 6 | 6675 | 1749 | 90620017 |
| Flatulence | 17.02 | 16.95 | 18 | 6663 | 41349 | 90580417 |
| 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 |
|---|---|---|---|---|---|---|
| Nephropathy | 48.19 | 25.63 | 15 | 1383 | 6896 | 42613041 |
| Blood uric acid increased | 36.31 | 25.63 | 15 | 1383 | 15532 | 42604405 |
| Hyperoxaluria | 35.91 | 25.63 | 6 | 1392 | 164 | 42619773 |
| Sleep apnoea syndrome | 28.54 | 25.63 | 14 | 1384 | 21594 | 42598343 |
| Coronary artery disease | 25.69 | 25.63 | 18 | 1380 | 53702 | 42566235 |
| 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 |
|---|---|---|---|---|---|---|
| Steatorrhoea | 99.57 | 17.81 | 21 | 7040 | 1040 | 110581198 |
| Cerebral venous thrombosis | 94.95 | 17.81 | 25 | 7036 | 3237 | 110579001 |
| Cholelithiasis | 84.95 | 17.81 | 52 | 7009 | 63370 | 110518868 |
| Hyperoxaluria | 68.97 | 17.81 | 13 | 7048 | 360 | 110581878 |
| Nephropathy | 63.54 | 17.81 | 26 | 7035 | 13441 | 110568797 |
| Thalamic infarction | 62.47 | 17.81 | 15 | 7046 | 1337 | 110580901 |
| Drug interaction | 59.67 | 17.81 | 111 | 6950 | 500072 | 110082166 |
| Crystal nephropathy | 57.75 | 17.81 | 15 | 7046 | 1841 | 110580397 |
| Abdominal pain | 49.28 | 17.81 | 104 | 6957 | 512885 | 110069353 |
| Rectal discharge | 44.98 | 17.81 | 11 | 7050 | 1058 | 110581180 |
| Acute hepatic failure | 44.01 | 17.81 | 28 | 7033 | 36440 | 110545798 |
| Kidney fibrosis | 41.04 | 17.81 | 14 | 7047 | 4378 | 110577860 |
| Menopausal symptoms | 40.00 | 17.81 | 12 | 7049 | 2489 | 110579749 |
| Oxalosis | 39.46 | 17.81 | 7 | 7054 | 137 | 110582101 |
| Urine oxalate increased | 36.25 | 17.81 | 7 | 7054 | 221 | 110582017 |
| Abdominal pain upper | 33.72 | 17.81 | 71 | 6990 | 349040 | 110233198 |
| Renal tubular atrophy | 32.47 | 17.81 | 10 | 7051 | 2266 | 110579972 |
| Ear pain | 32.40 | 17.81 | 27 | 7034 | 53199 | 110529039 |
| Jaundice | 29.89 | 17.81 | 27 | 7034 | 59209 | 110523029 |
| Slow response to stimuli | 29.48 | 17.81 | 9 | 7052 | 1979 | 110580259 |
| Vomiting | 29.14 | 17.81 | 125 | 6936 | 910550 | 109671688 |
| Rectal haemorrhage | 29.03 | 17.81 | 37 | 7024 | 119796 | 110462442 |
| Muscle spasticity | 27.83 | 17.81 | 21 | 7040 | 35894 | 110546344 |
| Crying | 26.82 | 17.81 | 18 | 7043 | 25610 | 110556628 |
| Pancreatitis | 24.44 | 17.81 | 30 | 7031 | 93503 | 110488735 |
| Pneumonia | 24.13 | 17.81 | 13 | 7048 | 876701 | 109705537 |
| Liver iron concentration abnormal | 23.68 | 17.81 | 4 | 7057 | 58 | 110582180 |
| Off label use | 22.89 | 17.81 | 38 | 7023 | 1500147 | 109082091 |
| Diverticulitis | 22.41 | 17.81 | 22 | 7039 | 53500 | 110528738 |
| Hepatic steatosis | 22.20 | 17.81 | 21 | 7040 | 48810 | 110533428 |
| Oropharyngeal blistering | 21.80 | 17.81 | 6 | 7055 | 917 | 110581321 |
| Pregnancy on oral contraceptive | 21.77 | 17.81 | 6 | 7055 | 922 | 110581316 |
| Sleep apnoea syndrome | 21.52 | 17.81 | 19 | 7042 | 40428 | 110541810 |
| Faeces pale | 21.18 | 17.81 | 8 | 7053 | 3349 | 110578889 |
| Dysarthria | 20.41 | 17.81 | 26 | 7035 | 84095 | 110498143 |
| Pancreatitis acute | 20.23 | 17.81 | 22 | 7039 | 60252 | 110521986 |
| Gallbladder disorder | 20.18 | 17.81 | 14 | 7047 | 21015 | 110561223 |
| Lip swelling | 19.69 | 17.81 | 20 | 7041 | 50647 | 110531591 |
| Bradyphrenia | 19.32 | 17.81 | 11 | 7050 | 11717 | 110570521 |
| Hepatitis acute | 19.20 | 17.81 | 13 | 7048 | 18753 | 110563485 |
| Blood triglycerides increased | 18.55 | 17.81 | 14 | 7047 | 23912 | 110558326 |
| Death | 18.30 | 17.81 | 11 | 7050 | 698858 | 109883380 |
| Breast enlargement | 18.22 | 17.81 | 6 | 7055 | 1683 | 110580555 |
| Diarrhoea | 17.86 | 17.81 | 129 | 6932 | 1139376 | 109442862 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A08AB01 | ALIMENTARY TRACT AND METABOLISM ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS Peripherally acting antiobesity products |
| FDA MoA | N0000009916 | Lipase Inhibitors |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D019440 | Anti-Obesity Agents |
| MeSH PA | D057847 | Lipid Regulating Agents |
| FDA EPC | N0000175591 | Intestinal Lipase Inhibitor |
| CHEBI has role | CHEBI:65001 | EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
| CHEBI has role | CHEBI:71476 | EC 2.3.1.85 (fatty acid synthase) inhibitor |
| CHEBI has role | CHEBI:74518 | anti-obesity agent |
| CHEBI has role | CHEBI:76969 | bacterial metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Obesity | indication | 414916001 | DOID:9970 |
| Primary hyperoxaluria | contraindication | 17901006 | DOID:2977 |
| Obstruction of bile duct | contraindication | 30144000 | |
| Anorexia nervosa | contraindication | 56882008 | DOID:8689 |
| Hepatic failure | contraindication | 59927004 | |
| Bulimia nervosa | contraindication | 78004001 | |
| Vitamin deficiency | contraindication | 85670002 | |
| Hepatic necrosis | contraindication | 87248009 | |
| Liver function tests abnormal | contraindication | 166603001 | |
| Drug-induced hepatitis | contraindication | 235876009 | |
| Malabsorption States | contraindication | ||
| Calcium Oxalate Renal Calculi | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.77 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase | Enzyme | INHIBITOR | IC50 | 8.90 | IUPHAR | DRUG LABEL | |||
| Gastric triacylglycerol lipase | Enzyme | INHIBITOR | CHEMBL | DRUG LABEL | |||||
| Fatty acid synthase | Enzyme | IC50 | 5.33 | CHEMBL | |||||
| Sn1-specific diacylglycerol lipase alpha | Enzyme | IC50 | 8 | CHEMBL | |||||
| Sn1-specific diacylglycerol lipase beta | Enzyme | IC50 | 7.22 | CHEMBL | |||||
| Abhydrolase domain-containing protein 16A | Enzyme | IC50 | 7.52 | CHEMBL | |||||
| Monoacylglycerol lipase ABHD12 | Enzyme | IC50 | 7.10 | CHEMBL | |||||
| Cannabinoid receptor 1 | GPCR | Ki | 5.60 | CHEMBL | |||||
| Monoacylglycerol lipase ABHD6 | Enzyme | IC50 | 7.32 | CHEMBL | |||||
| Hepatic triacylglycerol lipase | Enzyme | IC50 | 8.52 | CHEMBL | |||||
| Endothelial lipase | Enzyme | IC50 | 8.22 | CHEMBL | |||||
| Platelet-activating factor acetylhydrolase | Enzyme | IC50 | 7.30 | CHEMBL | |||||
| Lipoprotein lipase | Enzyme | IC50 | 7.18 | CHEMBL | |||||
| Fatty-acid amide hydrolase 1 | Enzyme | IC50 | 8 | CHEMBL | |||||
| Pancreatic triacylglycerol lipase | Enzyme | IC50 | 6.66 | CHEMBL | |||||
| Sn1-specific diacylglycerol lipase alpha | Enzyme | IC50 | 7.70 | CHEMBL |
| ID | Source |
|---|---|
| 4021159 | VUID |
| N0000148610 | NUI |
| D04028 | KEGG_DRUG |
| 4021159 | VANDF |
| C0076275 | UMLSCUI |
| CHEBI:94686 | CHEBI |
| CHEMBL175247 | ChEMBL_ID |
| D000077403 | MESH_DESCRIPTOR_UI |
| DB01083 | DRUGBANK_ID |
| 5277 | IUPHAR_LIGAND_ID |
| 6318 | INN_ID |
| 95M8R751W8 | UNII |
| 3034010 | PUBCHEM_CID |
| 226918 | RXNORM |
| 109396 | MMSL |
| 186669 | MMSL |
| 29932 | MMSL |
| 8088 | MMSL |
| d04429 | MMSL |
| 007654 | NDDF |
| 116093009 | SNOMEDCT_US |
| 387007000 | SNOMEDCT_US |
| 95M8R751W8 | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| ALLI | HUMAN OTC DRUG LABEL | 1 | 0135-0461 | CAPSULE | 60 mg | ORAL | NDA | 17 sections |
| Xenical | HUMAN PRESCRIPTION DRUG LABEL | 1 | 61269-460 | CAPSULE | 120 mg | ORAL | NDA | 31 sections |
| ORLISTAT | HUMAN PRESCRIPTION DRUG LABEL | 1 | 61269-565 | CAPSULE | 120 mg | ORAL | NDA authorized generic | 31 sections |
| ALLI | HUMAN OTC DRUG LABEL | 1 | 71610-805 | CAPSULE | 60 mg | ORAL | NDA | 17 sections |