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| Stem definition | Drug id | CAS RN |
|---|---|---|
| catechol-O-methyltransferase (COMT) inhibitors | 1018 | 130929-57-6 |
| Dose | Unit | Route |
|---|---|---|
| 1 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.02 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) | 87.35 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 42 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.27 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 12 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.02 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2.40 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.274 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 22.803 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 17.022 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 8.974 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 6.240 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 3.720 | % | High | 1 |
| herg | hERG pIC50 | 4.773 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 14.928 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 14.962 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 1.910 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK16,CDK19,CDK2,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT3,FLT4,GRK2,GRK3,GSK3A,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM1,PIM2,PIM3,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 96 | |||
| kinase-selectivity-class | AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EPHB4,GRK2,MAP2K6,MAPK7,PRKDC,STK33,SYK,TEK,TTK | 15 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 9.183 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 10.046 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 25.410 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 4.390 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.350 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | High | 1 | |
| pppb | Pig plasma protein binding (% unbound) | 1.850 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.083 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 45.920 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 79.590 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.990 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 918.333 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Oct. 19, 1999 | FDA | ORION PHARMA | |
| Feb. 18, 2011 | EMA | Teva Pharma B.V. |
| 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 |
|---|---|---|---|---|---|---|
| Dyskinesia | 509.71 | 30.06 | 144 | 3783 | 36390 | 90588130 |
| On and off phenomenon | 225.92 | 30.06 | 45 | 3882 | 2498 | 90622022 |
| Hallucination | 224.30 | 30.06 | 90 | 3837 | 65869 | 90558651 |
| Dystonia | 154.02 | 30.06 | 48 | 3879 | 16771 | 90607749 |
| Hallucination, visual | 131.35 | 30.06 | 46 | 3881 | 23046 | 90601474 |
| Psychotic disorder | 117.81 | 30.06 | 46 | 3881 | 31184 | 90593336 |
| Therapeutic response shortened | 109.09 | 30.06 | 40 | 3887 | 22839 | 90601681 |
| Freezing phenomenon | 96.50 | 30.06 | 21 | 3906 | 1791 | 90622729 |
| Muscle rigidity | 94.95 | 30.06 | 32 | 3895 | 14277 | 90610243 |
| Mutism | 91.41 | 30.06 | 20 | 3907 | 1749 | 90622771 |
| Delusion | 88.09 | 30.06 | 30 | 3897 | 13810 | 90610710 |
| Acute psychosis | 85.43 | 30.06 | 21 | 3906 | 3057 | 90621463 |
| Stoma site discharge | 78.28 | 30.06 | 18 | 3909 | 1971 | 90622549 |
| Impulse-control disorder | 73.05 | 30.06 | 15 | 3912 | 967 | 90623553 |
| Compulsive shopping | 70.63 | 30.06 | 14 | 3913 | 755 | 90623765 |
| Dopamine dysregulation syndrome | 68.43 | 30.06 | 11 | 3916 | 175 | 90624345 |
| Aggression | 65.71 | 30.06 | 29 | 3898 | 26639 | 90597881 |
| Camptocormia | 63.44 | 30.06 | 11 | 3916 | 282 | 90624238 |
| Orthostatic hypotension | 61.80 | 30.06 | 32 | 3895 | 41795 | 90582725 |
| Gait disturbance | 58.70 | 30.06 | 64 | 3863 | 260432 | 90364088 |
| Parkinsonism hyperpyrexia syndrome | 58.63 | 30.06 | 10 | 3917 | 232 | 90624288 |
| Stereotypy | 58.58 | 30.06 | 11 | 3916 | 445 | 90624075 |
| Fall | 55.75 | 30.06 | 85 | 3842 | 481725 | 90142795 |
| Tremor | 53.83 | 30.06 | 48 | 3879 | 153125 | 90471395 |
| Neuroleptic malignant syndrome | 52.56 | 30.06 | 21 | 3906 | 15075 | 90609445 |
| Bradykinesia | 52.30 | 30.06 | 17 | 3910 | 6771 | 90617749 |
| Sudden onset of sleep | 49.81 | 30.06 | 10 | 3917 | 575 | 90623945 |
| Parkinsonian gait | 49.70 | 30.06 | 10 | 3917 | 582 | 90623938 |
| Dysphagia | 47.19 | 30.06 | 39 | 3888 | 112239 | 90512281 |
| Gambling | 44.36 | 30.06 | 8 | 3919 | 258 | 90624262 |
| Wrong technique in product usage process | 43.57 | 30.06 | 31 | 3896 | 71540 | 90552980 |
| Pleurothotonus | 41.60 | 30.06 | 10 | 3917 | 1325 | 90623195 |
| Balance disorder | 41.37 | 30.06 | 34 | 3893 | 97046 | 90527474 |
| Stoma site pain | 41.00 | 30.06 | 10 | 3917 | 1407 | 90623113 |
| Stoma site erythema | 40.46 | 30.06 | 10 | 3917 | 1486 | 90623034 |
| Therapeutic product effect variable | 40.18 | 30.06 | 10 | 3917 | 1529 | 90622991 |
| Device issue | 39.08 | 30.06 | 21 | 3906 | 29516 | 90595004 |
| Impulsive behaviour | 39.02 | 30.06 | 10 | 3917 | 1720 | 90622800 |
| Logorrhoea | 39.00 | 30.06 | 11 | 3916 | 2716 | 90621804 |
| Hyperkinesia | 37.99 | 30.06 | 10 | 3917 | 1909 | 90622611 |
| Speech disorder | 37.97 | 30.06 | 24 | 3903 | 45561 | 90578959 |
| 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 |
|---|---|---|---|---|---|---|
| Dyskinesia | 343.29 | 28.57 | 132 | 6155 | 25258 | 42589790 |
| On and off phenomenon | 315.12 | 28.57 | 78 | 6209 | 3389 | 42611659 |
| Hallucination | 256.74 | 28.57 | 138 | 6149 | 57369 | 42557679 |
| Freezing phenomenon | 204.78 | 28.57 | 49 | 6238 | 1840 | 42613208 |
| Hallucination, visual | 190.16 | 28.57 | 82 | 6205 | 20938 | 42594110 |
| Muscle rigidity | 181.89 | 28.57 | 68 | 6219 | 11991 | 42603057 |
| Gambling disorder | 171.64 | 28.57 | 42 | 6245 | 1734 | 42613314 |
| Hypersexuality | 168.31 | 28.57 | 41 | 6246 | 1661 | 42613387 |
| Delusion | 99.81 | 28.57 | 47 | 6240 | 14687 | 42600361 |
| Fall | 92.62 | 28.57 | 141 | 6146 | 234379 | 42380669 |
| Cognitive disorder | 81.68 | 28.57 | 55 | 6232 | 34117 | 42580931 |
| Tremor | 81.21 | 28.57 | 85 | 6202 | 96844 | 42518204 |
| Bradykinesia | 79.53 | 28.57 | 30 | 6257 | 5406 | 42609642 |
| Dopamine dysregulation syndrome | 73.28 | 28.57 | 17 | 6270 | 556 | 42614492 |
| Akinesia | 68.60 | 28.57 | 22 | 6265 | 2450 | 42612598 |
| Hyperkinesia | 67.91 | 28.57 | 21 | 6266 | 2077 | 42612971 |
| Gait disturbance | 61.58 | 28.57 | 74 | 6213 | 97926 | 42517122 |
| Dysphagia | 61.27 | 28.57 | 64 | 6223 | 72655 | 42542393 |
| Stoma site discharge | 57.32 | 28.57 | 17 | 6270 | 1459 | 42613589 |
| Confusional state | 55.31 | 28.57 | 93 | 6194 | 167504 | 42447544 |
| Parkinson's disease | 54.73 | 28.57 | 16 | 6271 | 1306 | 42613742 |
| Mobility decreased | 53.10 | 28.57 | 43 | 6244 | 35263 | 42579785 |
| Dementia | 52.98 | 28.57 | 32 | 6255 | 16448 | 42598600 |
| Reduced facial expression | 52.39 | 28.57 | 16 | 6271 | 1517 | 42613531 |
| Therapeutic product effect variable | 52.24 | 28.57 | 19 | 6268 | 3090 | 42611958 |
| Device dislocation | 50.01 | 28.57 | 24 | 6263 | 7807 | 42607241 |
| Agitation | 49.56 | 28.57 | 54 | 6233 | 64260 | 42550788 |
| Neuroleptic malignant syndrome | 45.25 | 28.57 | 32 | 6255 | 21440 | 42593608 |
| Stoma site pain | 43.55 | 28.57 | 12 | 6275 | 791 | 42614257 |
| Persecutory delusion | 42.64 | 28.57 | 17 | 6270 | 3547 | 42611501 |
| Jealous delusion | 41.08 | 28.57 | 10 | 6277 | 403 | 42614645 |
| Aggression | 41.03 | 28.57 | 41 | 6246 | 44122 | 42570926 |
| Abnormal dreams | 40.01 | 28.57 | 21 | 6266 | 8250 | 42606798 |
| Irritability | 39.65 | 28.57 | 33 | 6254 | 28095 | 42586953 |
| Impulse-control disorder | 39.57 | 28.57 | 13 | 6274 | 1562 | 42613486 |
| Psychotic disorder | 38.56 | 28.57 | 33 | 6254 | 29175 | 42585873 |
| Stereotypy | 38.46 | 28.57 | 11 | 6276 | 831 | 42614217 |
| Colitis microscopic | 37.68 | 28.57 | 15 | 6272 | 3118 | 42611930 |
| Posture abnormal | 37.18 | 28.57 | 14 | 6273 | 2507 | 42612541 |
| Stoma site erythema | 36.48 | 28.57 | 11 | 6276 | 999 | 42614049 |
| Dystonia | 36.44 | 28.57 | 23 | 6264 | 12767 | 42602281 |
| Device issue | 35.29 | 28.57 | 23 | 6264 | 13486 | 42601562 |
| Therapeutic response shortened | 35.22 | 28.57 | 23 | 6264 | 13531 | 42601517 |
| Compulsive shopping | 35.04 | 28.57 | 9 | 6278 | 452 | 42614596 |
| Restlessness | 34.50 | 28.57 | 31 | 6256 | 29218 | 42585830 |
| Memory impairment | 33.27 | 28.57 | 39 | 6248 | 50183 | 42564865 |
| Mania | 32.66 | 28.57 | 20 | 6267 | 10527 | 42604521 |
| Parkinsonism hyperpyrexia syndrome | 32.20 | 28.57 | 8 | 6279 | 351 | 42614697 |
| Paranoia | 32.11 | 28.57 | 22 | 6265 | 14004 | 42601044 |
| Illusion | 32.04 | 28.57 | 10 | 6277 | 1019 | 42614029 |
| Delirium | 30.25 | 28.57 | 38 | 6249 | 52481 | 42562567 |
| Somatic delusion | 30.19 | 28.57 | 6 | 6281 | 92 | 42614956 |
| Tricuspid valve sclerosis | 29.39 | 28.57 | 5 | 6282 | 30 | 42615018 |
| Stoma site inflammation | 29.05 | 28.57 | 8 | 6279 | 526 | 42614522 |
| 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 |
|---|---|---|---|---|---|---|
| Dyskinesia | 673.70 | 27.93 | 220 | 8171 | 51226 | 110529682 |
| On and off phenomenon | 402.86 | 27.93 | 88 | 8303 | 4336 | 110576572 |
| Hallucination | 384.24 | 27.93 | 176 | 8215 | 101256 | 110479652 |
| Hallucination, visual | 307.89 | 27.93 | 115 | 8276 | 39490 | 110541418 |
| Freezing phenomenon | 215.90 | 27.93 | 48 | 8343 | 2561 | 110578347 |
| Gambling disorder | 196.16 | 27.93 | 43 | 8348 | 2148 | 110578760 |
| Muscle rigidity | 194.79 | 27.93 | 72 | 8319 | 23959 | 110556949 |
| Hypersexuality | 178.84 | 27.93 | 39 | 8352 | 1901 | 110579007 |
| Dystonia | 161.36 | 27.93 | 64 | 8327 | 25741 | 110555167 |
| Delusion | 141.86 | 27.93 | 57 | 8334 | 23698 | 110557210 |
| Psychotic disorder | 136.89 | 27.93 | 70 | 8321 | 50867 | 110530041 |
| Therapeutic response shortened | 133.04 | 27.93 | 58 | 8333 | 29525 | 110551383 |
| Dopamine dysregulation syndrome | 131.69 | 27.93 | 25 | 8366 | 602 | 110580306 |
| Impulse-control disorder | 115.72 | 27.93 | 28 | 8363 | 2166 | 110578742 |
| Bradykinesia | 112.59 | 27.93 | 39 | 8352 | 10749 | 110570159 |
| Tremor | 107.01 | 27.93 | 102 | 8289 | 202130 | 110378778 |
| Fall | 106.42 | 27.93 | 175 | 8216 | 603307 | 109977601 |
| Akinesia | 101.45 | 27.93 | 28 | 8363 | 3639 | 110577269 |
| Neuroleptic malignant syndrome | 97.89 | 27.93 | 49 | 8342 | 34010 | 110546898 |
| Aggression | 97.60 | 27.93 | 59 | 8332 | 59151 | 110521757 |
| Stereotypy | 96.84 | 27.93 | 21 | 8370 | 996 | 110579912 |
| Gait disturbance | 91.51 | 27.93 | 109 | 8282 | 278099 | 110302809 |
| Parkinsonism hyperpyrexia syndrome | 89.17 | 27.93 | 18 | 8373 | 600 | 110580308 |
| Compulsive shopping | 88.72 | 27.93 | 19 | 8372 | 849 | 110580059 |
| Hyperkinesia | 86.64 | 27.93 | 24 | 8367 | 3160 | 110577748 |
| Dysphagia | 86.04 | 27.93 | 80 | 8311 | 153520 | 110427388 |
| Therapeutic product effect variable | 85.67 | 27.93 | 23 | 8368 | 2695 | 110578213 |
| Stoma site discharge | 85.03 | 27.93 | 23 | 8368 | 2772 | 110578136 |
| Acute psychosis | 80.18 | 27.93 | 25 | 8366 | 4962 | 110575946 |
| Irritability | 77.14 | 27.93 | 47 | 8344 | 47762 | 110533146 |
| Mutism | 73.50 | 27.93 | 21 | 8370 | 3092 | 110577816 |
| Agitation | 73.38 | 27.93 | 64 | 8327 | 112987 | 110467921 |
| Cognitive disorder | 68.06 | 27.93 | 55 | 8336 | 87456 | 110493452 |
| Device issue | 63.65 | 27.93 | 37 | 8354 | 34498 | 110546410 |
| Orthostatic hypotension | 63.20 | 27.93 | 47 | 8344 | 66202 | 110514706 |
| Parkinson's disease | 62.85 | 27.93 | 16 | 8375 | 1523 | 110579385 |
| Confusional state | 60.72 | 27.93 | 119 | 8272 | 468561 | 110112347 |
| Stoma site pain | 58.99 | 27.93 | 16 | 8375 | 1947 | 110578961 |
| Reduced facial expression | 57.43 | 27.93 | 18 | 8373 | 3633 | 110577275 |
| Logorrhoea | 55.92 | 27.93 | 19 | 8372 | 4938 | 110575970 |
| Dementia | 55.91 | 27.93 | 33 | 8358 | 31640 | 110549268 |
| Parkinsonian gait | 53.05 | 27.93 | 13 | 8378 | 1059 | 110579849 |
| Sudden onset of sleep | 52.97 | 27.93 | 12 | 8379 | 696 | 110580212 |
| Camptocormia | 51.68 | 27.93 | 11 | 8380 | 477 | 110580431 |
| Mania | 51.29 | 27.93 | 27 | 8364 | 20769 | 110560139 |
| Energy increased | 49.09 | 27.93 | 16 | 8375 | 3658 | 110577250 |
| Jealous delusion | 46.34 | 27.93 | 10 | 8381 | 463 | 110580445 |
| Illusion | 44.97 | 27.93 | 13 | 8378 | 1994 | 110578914 |
| Persecutory delusion | 44.23 | 27.93 | 17 | 8374 | 6274 | 110574634 |
| Behaviour disorder | 43.63 | 27.93 | 19 | 8372 | 9628 | 110571280 |
| Psychomotor hyperactivity | 43.50 | 27.93 | 24 | 8367 | 20253 | 110560655 |
| Gambling | 42.92 | 27.93 | 9 | 8382 | 363 | 110580545 |
| Posture abnormal | 42.30 | 27.93 | 15 | 8376 | 4423 | 110576485 |
| Progressive supranuclear palsy | 41.26 | 27.93 | 8 | 8383 | 216 | 110580692 |
| Device dislocation | 38.33 | 27.93 | 26 | 8365 | 31678 | 110549230 |
| Delirium | 38.02 | 27.93 | 49 | 8342 | 134976 | 110445932 |
| Resting tremor | 37.90 | 27.93 | 11 | 8380 | 1712 | 110579196 |
| Somnolence | 37.80 | 27.93 | 75 | 8316 | 297374 | 110283534 |
| Stoma site infection | 37.45 | 27.93 | 11 | 8380 | 1784 | 110579124 |
| Arthralgia | 37.38 | 27.93 | 7 | 8384 | 779625 | 109801283 |
| Balance disorder | 37.13 | 27.93 | 45 | 8346 | 116515 | 110464393 |
| Death | 36.40 | 27.93 | 126 | 8265 | 698743 | 109882165 |
| Paranoia | 36.08 | 27.93 | 22 | 8369 | 22352 | 110558556 |
| Abnormal behaviour | 35.67 | 27.93 | 27 | 8364 | 39012 | 110541896 |
| Stoma site erythema | 35.66 | 27.93 | 11 | 8380 | 2106 | 110578802 |
| Abnormal dreams | 35.57 | 27.93 | 18 | 8373 | 12762 | 110568146 |
| Blood creatine phosphokinase increased | 35.08 | 27.93 | 35 | 8356 | 73042 | 110507866 |
| Impulsive behaviour | 34.64 | 27.93 | 12 | 8379 | 3303 | 110577605 |
| Nocturia | 33.43 | 27.93 | 19 | 8372 | 16971 | 110563937 |
| Wrong technique in product usage process | 33.31 | 27.93 | 37 | 8354 | 87311 | 110493597 |
| Hypomania | 33.24 | 27.93 | 16 | 8375 | 10194 | 110570714 |
| Restlessness | 32.81 | 27.93 | 30 | 8361 | 56229 | 110524679 |
| Tricuspid valve sclerosis | 32.71 | 27.93 | 5 | 8386 | 30 | 110580878 |
| Torticollis | 31.13 | 27.93 | 11 | 8380 | 3210 | 110577698 |
| Speech disorder | 30.50 | 27.93 | 30 | 8361 | 61539 | 110519369 |
| Pleurothotonus | 29.85 | 27.93 | 10 | 8381 | 2488 | 110578420 |
| Nightmare | 29.30 | 27.93 | 24 | 8367 | 38839 | 110542069 |
| Parkinsonism | 28.75 | 27.93 | 19 | 8372 | 22168 | 110558740 |
| Deep brain stimulation | 28.16 | 27.93 | 5 | 8386 | 82 | 110580826 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N04BX02 | NERVOUS SYSTEM ANTI-PARKINSON DRUGS DOPAMINERGIC AGENTS Other dopaminergic agents |
| MeSH PA | D000978 | Antiparkinson Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D018726 | Anti-Dyskinesia Agents |
| MeSH PA | D065098 | Catechol O-Methyltransferase Inhibitors |
| CHEBI has role | CHEBI:35470 | central nervous system drug |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35623 | anticonvulsant |
| CHEBI has role | CHEBI:48406 | EC 2.1.1.6 (catechol <em>O</em>-methyltransferase) inhibitor |
| CHEBI has role | CHEBI:48407 | antiparkinson drug |
| CHEBI has role | CHEBI:66956 | antidyskinesia agent |
| CHEBI has role | CHEBI:74518 | anti-obesity agent |
| FDA MoA | N0000175756 | Catechol O-Methyltransferase Inhibitors |
| FDA EPC | N0000175757 | Catechol-O-Methyltransferase Inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Parkinson's disease | indication | 49049000 | DOID:14330 |
| Suicidal thoughts | contraindication | 6471006 | |
| Hallucinations | contraindication | 7011001 | |
| Dyskinesia | contraindication | 9748009 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Disorder of lung | contraindication | 19829001 | DOID:850 |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Orthostatic hypotension | contraindication | 28651003 | |
| Obstruction of bile duct | contraindication | 30144000 | |
| Depressive disorder | contraindication | 35489007 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Duodenal ulcer disease | contraindication | 51868009 | DOID:1724 |
| Diarrhea | contraindication | 62315008 | |
| Psychotic disorder | contraindication | 69322001 | |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Gastrointestinal hemorrhage | contraindication | 74474003 | |
| Open-angle glaucoma | contraindication | 84494001 | DOID:1067 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Acute disease of cardiovascular system | contraindication | 128487001 | |
| Seizure disorder | contraindication | 128613002 | |
| Drug-induced psychosis | contraindication | 191483003 | DOID:1742 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Retention of urine | contraindication | 267064002 | |
| Psychoneurotic personality disorder | contraindication | 268634009 | |
| Malignant melanoma | contraindication | 372244006 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Cardiovascular event risk | contraindication | 395112001 | |
| Gastric ulcer | contraindication | 397825006 | DOID:10808 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.41 | acidic |
| pKa2 | 13.34 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Catechol O-methyltransferase | Enzyme | INHIBITOR | Ki | 9.52 | SCIENTIFIC LITERATURE | CHEMBL | |||
| G-protein coupled receptor 35 | GPCR | EC50 | 5.25 | CHEMBL | |||||
| Alpha-ketoglutarate-dependent dioxygenase FTO | Enzyme | IC50 | 5.52 | CHEMBL | |||||
| Mitochondrial pyruvate carrier 2 | Transporter | INHIBITOR | IC50 | 6.22 | IUPHAR | ||||
| Mitochondrial pyruvate carrier 1-like protein | Transporter | INHIBITOR | IC50 | 6.20 | IUPHAR | ||||
| Catechol O-methyltransferase | Enzyme | IC50 | 7.89 | CHEMBL |
| ID | Source |
|---|---|
| 4021181 | VUID |
| N0000148629 | NUI |
| D00781 | KEGG_DRUG |
| 4021181 | VANDF |
| C0165921 | UMLSCUI |
| CHEBI:4798 | CHEBI |
| PD9 | PDB_CHEM_ID |
| CHEMBL953 | ChEMBL_ID |
| DB00494 | DRUGBANK_ID |
| C071192 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5281081 | PUBCHEM_CID |
| 6647 | IUPHAR_LIGAND_ID |
| 6812 | INN_ID |
| 4975G9NM6T | UNII |
| 227109 | RXNORM |
| 66346 | MMSL |
| 8477 | MMSL |
| d04460 | MMSL |
| 007684 | NDDF |
| 116116003 | SNOMEDCT_US |
| 387018000 | SNOMEDCT_US |
| 4975G9NM6T | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0527-1830 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 26 sections |
| Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0615-8298 | TABLET | 200 mg | ORAL | ANDA | 19 sections |
| Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0781-5578 | TABLET, FILM COATED | 200 mg | ORAL | NDA authorized generic | 13 sections |
| Carbidopa, Levodopa, and Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 3 | 0781-5613 | TABLET, FILM COATED | 200 mg | ORAL | NDA authorized generic | 26 sections |
| Carbidopa, Levodopa, and Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 3 | 0781-5625 | TABLET, FILM COATED | 200 mg | ORAL | NDA authorized generic | 26 sections |
| Carbidopa, Levodopa, and Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 3 | 0781-5637 | TABLET, FILM COATED | 200 mg | ORAL | NDA authorized generic | 26 sections |
| Carbidopa, Levodopa, and Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 3 | 0781-5641 | TABLET, FILM COATED | 200 mg | ORAL | NDA authorized generic | 26 sections |
| Carbidopa, Levodopa, and Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 3 | 0781-5654 | TABLET, FILM COATED | 200 mg | ORAL | NDA authorized generic | 26 sections |
| Carbidopa, Levodopa, and Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 3 | 0781-5669 | TABLET, FILM COATED | 200 mg | ORAL | NDA authorized generic | 26 sections |
| Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0904-6822 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 20 sections |
| CARBIDOPA, LEVODOPA AND ENTACAPONE | Human Prescription Drug Label | 3 | 16571-689 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 27 sections |
| CARBIDOPA, LEVODOPA AND ENTACAPONE | Human Prescription Drug Label | 3 | 16571-690 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 27 sections |
| CARBIDOPA, LEVODOPA AND ENTACAPONE | Human Prescription Drug Label | 3 | 16571-691 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 27 sections |
| CARBIDOPA, LEVODOPA AND ENTACAPONE | Human Prescription Drug Label | 3 | 16571-692 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 27 sections |
| CARBIDOPA, LEVODOPA AND ENTACAPONE | Human Prescription Drug Label | 3 | 16571-693 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 27 sections |
| CARBIDOPA, LEVODOPA AND ENTACAPONE | Human Prescription Drug Label | 3 | 16571-694 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 27 sections |
| Entacapone | Human Prescription Drug Label | 1 | 27241-049 | TABLET | 200 mg | ORAL | ANDA | 13 sections |
| Entacapone | Human Prescription Drug Label | 1 | 27241-049 | TABLET | 200 mg | ORAL | ANDA | 13 sections |
| Entacapone | Human Prescription Drug Label | 1 | 33342-260 | TABLET | 200 mg | ORAL | ANDA | 19 sections |
| Carbidopa, Levodopa and Entacapone | Human Prescription Drug Label | 3 | 33342-491 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
| Carbidopa, Levodopa and Entacapone | Human Prescription Drug Label | 3 | 33342-492 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
| Carbidopa, Levodopa and Entacapone | Human Prescription Drug Label | 3 | 33342-493 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
| Carbidopa, Levodopa and Entacapone | Human Prescription Drug Label | 3 | 33342-494 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
| Carbidopa, Levodopa and Entacapone | Human Prescription Drug Label | 3 | 33342-495 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
| Carbidopa, Levodopa and Entacapone | Human Prescription Drug Label | 3 | 33342-496 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
| Entacapone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 43353-996 | TABLET, FILM COATED | 200 mg | ORAL | NDA | 21 sections |
| ENTACAPONE | Human Prescription Drug Label | 1 | 46708-478 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 19 sections |
| carbidopa, levodopa and entacapone | Human Prescription Drug Label | 3 | 46708-795 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
| carbidopa, levodopa and entacapone | Human Prescription Drug Label | 3 | 46708-796 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
| carbidopa, levodopa and entacapone | Human Prescription Drug Label | 3 | 46708-797 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |