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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 374 | 514-65-8 |
| Dose | Unit | Route |
|---|---|---|
| 10 | mg | O |
| 10 | mg | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 1 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.64 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 30 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 12 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) | 0.10 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 24 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.594 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.899 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 28.576 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 28.576 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 12.400 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 23.610 | % | High | 1 |
| herg | hERG pIC50 | 5.367 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 6.266 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 17.947 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 11.250 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK12,MAPK7,MAPKAPK2,MET,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,TTK | 42 | |||
| kinase-selectivity-class | AXL,CAMK2D,CDK4,EIF2AK3,EPHB4,GRK2,PDK4,SIK2,STK33 | 9 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.564 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.350 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 74.645 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 11.390 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.710 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 22.830 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.352 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 249.459 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 37.330 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 14.600 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 544.503 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 8, 1959 | FDA | ABBVIE |
| 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 |
|---|---|---|---|---|---|---|
| Neuroleptic malignant syndrome | 412.81 | 30.79 | 115 | 7026 | 14981 | 90606325 |
| Suicide attempt | 211.90 | 30.79 | 108 | 7033 | 75291 | 90546015 |
| Extrapyramidal disorder | 203.49 | 30.79 | 68 | 7073 | 16235 | 90605071 |
| Drug interaction | 198.49 | 30.79 | 168 | 6973 | 276285 | 90345021 |
| Intentional overdose | 176.35 | 30.79 | 103 | 7038 | 93731 | 90527575 |
| Intentional self-injury | 144.50 | 30.79 | 62 | 7079 | 29272 | 90592034 |
| Hyperprolactinaemia | 142.03 | 30.79 | 40 | 7101 | 5393 | 90615913 |
| Akathisia | 141.03 | 30.79 | 47 | 7094 | 11112 | 90610194 |
| Psychotic symptom | 129.25 | 30.79 | 31 | 7110 | 2225 | 90619081 |
| Sopor | 121.07 | 30.79 | 52 | 7089 | 24592 | 90596714 |
| Drug abuse | 120.32 | 30.79 | 77 | 7064 | 82270 | 90539036 |
| Dyskinesia | 119.27 | 30.79 | 58 | 7083 | 36476 | 90584830 |
| Salivary hypersecretion | 117.71 | 30.79 | 39 | 7102 | 9053 | 90612253 |
| Schizophrenia | 116.71 | 30.79 | 44 | 7097 | 14870 | 90606436 |
| Restlessness | 114.48 | 30.79 | 56 | 7085 | 35664 | 90585642 |
| Somnolence | 110.25 | 30.79 | 107 | 7034 | 208977 | 90412329 |
| Delusion | 98.12 | 30.79 | 38 | 7103 | 13802 | 90607504 |
| Muscle rigidity | 96.89 | 30.79 | 38 | 7103 | 14271 | 90607035 |
| Altered state of consciousness | 93.81 | 30.79 | 47 | 7094 | 31485 | 90589821 |
| Toxicity to various agents | 93.34 | 30.79 | 114 | 7027 | 287732 | 90333574 |
| Hallucination, auditory | 92.84 | 30.79 | 38 | 7103 | 15937 | 90605369 |
| Tremor | 91.41 | 30.79 | 84 | 7057 | 153089 | 90468217 |
| Oromandibular dystonia | 83.03 | 30.79 | 17 | 7124 | 586 | 90620720 |
| Dystonia | 77.72 | 30.79 | 34 | 7107 | 16785 | 90604521 |
| Blood creatine phosphokinase increased | 76.35 | 30.79 | 42 | 7099 | 33981 | 90587325 |
| Coma | 73.09 | 30.79 | 54 | 7087 | 72578 | 90548728 |
| Logorrhoea | 70.91 | 30.79 | 20 | 7121 | 2707 | 90618599 |
| Agitation | 67.77 | 30.79 | 50 | 7091 | 67048 | 90554258 |
| Persecutory delusion | 67.70 | 30.79 | 20 | 7121 | 3188 | 90618118 |
| Dysarthria | 65.15 | 30.79 | 45 | 7096 | 54437 | 90566869 |
| Inappropriate affect | 63.46 | 30.79 | 15 | 7126 | 1010 | 90620296 |
| Rhabdomyolysis | 62.85 | 30.79 | 43 | 7098 | 51213 | 90570093 |
| Confabulation | 62.02 | 30.79 | 12 | 7129 | 308 | 90620998 |
| Parkinsonism | 60.37 | 30.79 | 27 | 7114 | 14038 | 90607268 |
| Galactorrhoea | 60.30 | 30.79 | 20 | 7121 | 4652 | 90616654 |
| Psychomotor hyperactivity | 59.52 | 30.79 | 26 | 7115 | 12787 | 90608519 |
| Mental impairment | 55.91 | 30.79 | 27 | 7114 | 16693 | 90604613 |
| Sluggishness | 55.53 | 30.79 | 20 | 7121 | 5939 | 90615367 |
| Resting tremor | 55.08 | 30.79 | 13 | 7128 | 870 | 90620436 |
| Reduced facial expression | 54.24 | 30.79 | 16 | 7125 | 2537 | 90618769 |
| Bradykinesia | 52.99 | 30.79 | 20 | 7121 | 6768 | 90614538 |
| Negative symptoms in schizophrenia | 51.95 | 30.79 | 9 | 7132 | 122 | 90621184 |
| Blood prolactin increased | 48.66 | 30.79 | 16 | 7125 | 3621 | 90617685 |
| Cogwheel rigidity | 48.30 | 30.79 | 14 | 7127 | 2088 | 90619218 |
| Urinary incontinence | 47.20 | 30.79 | 32 | 7109 | 37534 | 90583772 |
| Pneumonia aspiration | 44.71 | 30.79 | 32 | 7109 | 40908 | 90580398 |
| Treatment noncompliance | 44.40 | 30.79 | 35 | 7106 | 51692 | 90569614 |
| Psychomotor retardation | 44.35 | 30.79 | 16 | 7125 | 4773 | 90616533 |
| Catatonia | 44.24 | 30.79 | 17 | 7124 | 6039 | 90615267 |
| Ileus paralytic | 43.41 | 30.79 | 16 | 7125 | 5069 | 90616237 |
| Rabbit syndrome | 43.39 | 30.79 | 9 | 7132 | 331 | 90620975 |
| Megacolon | 43.23 | 30.79 | 13 | 7128 | 2201 | 90619105 |
| Hypothermia | 42.76 | 30.79 | 22 | 7119 | 15553 | 90605753 |
| Arthralgia | 41.61 | 30.79 | 6 | 7135 | 778516 | 89842790 |
| Hyperammonaemic encephalopathy | 40.69 | 30.79 | 13 | 7128 | 2686 | 90618620 |
| Urinary retention | 40.07 | 30.79 | 29 | 7112 | 37715 | 90583591 |
| Depressed level of consciousness | 39.67 | 30.79 | 38 | 7103 | 72746 | 90548560 |
| Stupor | 38.66 | 30.79 | 15 | 7126 | 5467 | 90615839 |
| Parkinsonian gait | 38.41 | 30.79 | 9 | 7132 | 583 | 90620723 |
| Electrocardiogram QT prolonged | 37.93 | 30.79 | 37 | 7104 | 72419 | 90548887 |
| Serotonin syndrome | 37.71 | 30.79 | 28 | 7113 | 37859 | 90583447 |
| Tardive dyskinesia | 37.60 | 30.79 | 18 | 7123 | 10912 | 90610394 |
| Eosinophilic myocarditis | 37.11 | 30.79 | 9 | 7132 | 676 | 90620630 |
| Accommodation disorder | 36.06 | 30.79 | 8 | 7133 | 406 | 90620900 |
| Psychotic disorder | 35.46 | 30.79 | 25 | 7116 | 31205 | 90590101 |
| Stereotypy | 35.29 | 30.79 | 8 | 7133 | 448 | 90620858 |
| Parkinsonism hyperpyrexia syndrome | 34.36 | 30.79 | 7 | 7134 | 235 | 90621071 |
| Distractibility | 33.66 | 30.79 | 8 | 7133 | 551 | 90620755 |
| Oculogyric crisis | 33.54 | 30.79 | 11 | 7130 | 2468 | 90618838 |
| Mutism | 32.88 | 30.79 | 10 | 7131 | 1759 | 90619547 |
| Hypertonia | 32.47 | 30.79 | 13 | 7128 | 5142 | 90616164 |
| Headache | 32.06 | 30.79 | 14 | 7127 | 862732 | 89758574 |
| Psychiatric decompensation | 31.95 | 30.79 | 10 | 7131 | 1933 | 90619373 |
| Drug monitoring procedure incorrectly performed | 31.93 | 30.79 | 7 | 7134 | 336 | 90620970 |
| Delirium | 31.57 | 30.79 | 40 | 7101 | 104319 | 90516987 |
| Sitting disability | 31.48 | 30.79 | 7 | 7134 | 359 | 90620947 |
| Cerebral atrophy | 31.33 | 30.79 | 13 | 7128 | 5633 | 90615673 |
| Hallucinations, mixed | 30.80 | 30.79 | 13 | 7128 | 5876 | 90615430 |
| 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 |
|---|---|---|---|---|---|---|
| Neuroleptic malignant syndrome | 270.46 | 25.94 | 113 | 7743 | 21359 | 42592120 |
| Schizophrenia | 165.31 | 25.94 | 65 | 7791 | 10485 | 42602994 |
| Colitis ischaemic | 158.65 | 25.94 | 57 | 7799 | 7169 | 42606310 |
| Extrapyramidal disorder | 131.54 | 25.94 | 63 | 7793 | 16349 | 42597130 |
| Salivary hypersecretion | 119.16 | 25.94 | 52 | 7804 | 10891 | 42602588 |
| Intentional self-injury | 114.70 | 25.94 | 56 | 7800 | 15146 | 42598333 |
| Sopor | 112.89 | 25.94 | 53 | 7803 | 13149 | 42600330 |
| Megacolon | 102.74 | 25.94 | 31 | 7825 | 2254 | 42611225 |
| Suicide attempt | 101.51 | 25.94 | 77 | 7779 | 46023 | 42567456 |
| Delusion | 98.51 | 25.94 | 50 | 7806 | 14684 | 42598795 |
| Muscle rigidity | 89.69 | 25.94 | 44 | 7812 | 12015 | 42601464 |
| Psychotic disorder | 87.82 | 25.94 | 59 | 7797 | 29149 | 42584330 |
| Ileus paralytic | 82.16 | 25.94 | 36 | 7820 | 7605 | 42605874 |
| Altered state of consciousness | 78.27 | 25.94 | 55 | 7801 | 29204 | 42584275 |
| Self-injurious ideation | 78.24 | 25.94 | 24 | 7832 | 1844 | 42611635 |
| Hallucination, auditory | 78.24 | 25.94 | 43 | 7813 | 14821 | 42598658 |
| Aggression | 76.31 | 25.94 | 64 | 7792 | 44099 | 42569380 |
| Dyskinesia | 75.63 | 25.94 | 51 | 7805 | 25339 | 42588140 |
| Intentional overdose | 73.68 | 25.94 | 67 | 7789 | 51389 | 42562090 |
| Depressed level of consciousness | 71.72 | 25.94 | 64 | 7792 | 47906 | 42565573 |
| Akathisia | 71.41 | 25.94 | 36 | 7820 | 10415 | 42603064 |
| Restlessness | 69.12 | 25.94 | 51 | 7805 | 29198 | 42584281 |
| Blood creatine phosphokinase increased | 67.37 | 25.94 | 62 | 7794 | 48276 | 42565203 |
| Sedation | 67.25 | 25.94 | 51 | 7805 | 30424 | 42583055 |
| Psychomotor hyperactivity | 66.92 | 25.94 | 35 | 7821 | 10923 | 42602556 |
| Persecutory delusion | 66.67 | 25.94 | 25 | 7831 | 3539 | 42609940 |
| Pneumonia aspiration | 65.50 | 25.94 | 62 | 7794 | 50016 | 42563463 |
| Parkinsonism | 65.07 | 25.94 | 34 | 7822 | 10589 | 42602890 |
| Oropharyngeal spasm | 62.06 | 25.94 | 13 | 7843 | 207 | 42613272 |
| Psychiatric symptom | 59 | 25.94 | 24 | 7832 | 4217 | 42609262 |
| Stupor | 58.55 | 25.94 | 22 | 7834 | 3131 | 42610348 |
| Faecaloma | 56.14 | 25.94 | 26 | 7830 | 6244 | 42607235 |
| Delirium | 50.36 | 25.94 | 55 | 7801 | 52464 | 42561015 |
| Patient restraint | 47.99 | 25.94 | 9 | 7847 | 78 | 42613401 |
| Drug interaction | 47.89 | 25.94 | 132 | 7724 | 266867 | 42346612 |
| Tremor | 47.81 | 25.94 | 73 | 7783 | 96856 | 42516623 |
| Peritonitis | 47.44 | 25.94 | 34 | 7822 | 18599 | 42594880 |
| Dysphagia | 46.51 | 25.94 | 62 | 7794 | 72657 | 42540822 |
| Psychomotor retardation | 44.94 | 25.94 | 20 | 7836 | 4379 | 42609100 |
| Sinus tachycardia | 44.31 | 25.94 | 34 | 7822 | 20619 | 42592860 |
| Postoperative respiratory failure | 43.85 | 25.94 | 9 | 7847 | 129 | 42613350 |
| Dystonia | 43.69 | 25.94 | 28 | 7828 | 12762 | 42600717 |
| Rhabdomyolysis | 43.12 | 25.94 | 62 | 7794 | 77957 | 42535522 |
| Post-injection delirium sedation syndrome | 39.57 | 25.94 | 11 | 7845 | 597 | 42612882 |
| Self-destructive behaviour | 39.56 | 25.94 | 10 | 7846 | 375 | 42613104 |
| Tardive dyskinesia | 36.34 | 25.94 | 20 | 7836 | 6904 | 42606575 |
| Polydipsia | 35.23 | 25.94 | 17 | 7839 | 4471 | 42609008 |
| Psychotic symptom | 34.88 | 25.94 | 14 | 7842 | 2376 | 42611103 |
| Paraplegia | 33.71 | 25.94 | 15 | 7841 | 3282 | 42610197 |
| Hyponatraemia | 32.34 | 25.94 | 63 | 7793 | 101399 | 42512080 |
| Overdose | 31.91 | 25.94 | 64 | 7792 | 105200 | 42508279 |
| Treatment noncompliance | 31.91 | 25.94 | 37 | 7819 | 37635 | 42575844 |
| Bezoar | 31.54 | 25.94 | 11 | 7845 | 1265 | 42612214 |
| Disorientation | 31.25 | 25.94 | 36 | 7820 | 36353 | 42577126 |
| Tension | 31.07 | 25.94 | 13 | 7843 | 2451 | 42611028 |
| Olfactory nerve disorder | 30.87 | 25.94 | 6 | 7850 | 64 | 42613415 |
| Shock | 28.77 | 25.94 | 31 | 7825 | 29090 | 42584389 |
| Coma | 28.76 | 25.94 | 42 | 7814 | 53512 | 42559967 |
| Arthralgia | 27.30 | 25.94 | 3 | 7853 | 205235 | 42408244 |
| Social avoidant behaviour | 27.19 | 25.94 | 13 | 7843 | 3351 | 42610128 |
| Drug screen false positive | 27.09 | 25.94 | 9 | 7847 | 893 | 42612586 |
| Pseudohallucination | 27.02 | 25.94 | 5 | 7851 | 40 | 42613439 |
| Agitation | 26.95 | 25.94 | 45 | 7811 | 64269 | 42549210 |
| Sudden death | 26.45 | 25.94 | 23 | 7833 | 16606 | 42596873 |
| Paraparesis | 26.36 | 25.94 | 11 | 7845 | 2060 | 42611419 |
| Fatigue | 26.32 | 25.94 | 25 | 7831 | 435616 | 42177863 |
| 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 |
|---|---|---|---|---|---|---|
| Neuroleptic malignant syndrome | 653.81 | 25.53 | 223 | 14370 | 33836 | 110540870 |
| Extrapyramidal disorder | 319.18 | 25.53 | 126 | 14467 | 28741 | 110545965 |
| Suicide attempt | 255.73 | 25.53 | 163 | 14430 | 103231 | 110471475 |
| Schizophrenia | 250.85 | 25.53 | 98 | 14495 | 21728 | 110552978 |
| Salivary hypersecretion | 231.66 | 25.53 | 87 | 14506 | 17334 | 110557372 |
| Intentional self-injury | 224.32 | 25.53 | 106 | 14487 | 37323 | 110537383 |
| Sopor | 220.56 | 25.53 | 104 | 14489 | 36442 | 110538264 |
| Delusion | 215.55 | 25.53 | 90 | 14503 | 23665 | 110551041 |
| Akathisia | 200.74 | 25.53 | 78 | 14515 | 17035 | 110557671 |
| Drug interaction | 199.56 | 25.53 | 285 | 14308 | 499898 | 110074808 |
| Muscle rigidity | 181.61 | 25.53 | 80 | 14513 | 23951 | 110550755 |
| Dyskinesia | 173.39 | 25.53 | 99 | 14494 | 51347 | 110523359 |
| Hallucination, auditory | 171.28 | 25.53 | 79 | 14514 | 26318 | 110548388 |
| Altered state of consciousness | 168.13 | 25.53 | 101 | 14492 | 57525 | 110517181 |
| Colitis ischaemic | 163.54 | 25.53 | 68 | 14525 | 17682 | 110557024 |
| Intentional overdose | 160.95 | 25.53 | 136 | 14457 | 132365 | 110442341 |
| Psychotic symptom | 152.68 | 25.53 | 44 | 14549 | 3823 | 110570883 |
| Restlessness | 149.77 | 25.53 | 93 | 14500 | 56166 | 110518540 |
| Blood creatine phosphokinase increased | 148.53 | 25.53 | 102 | 14491 | 72975 | 110501731 |
| Megacolon | 139.36 | 25.53 | 42 | 14551 | 4263 | 110570443 |
| Persecutory delusion | 135.57 | 25.53 | 45 | 14548 | 6246 | 110568460 |
| Hyperprolactinaemia | 133.63 | 25.53 | 45 | 14548 | 6530 | 110568176 |
| Tremor | 132.73 | 25.53 | 148 | 14445 | 202084 | 110372622 |
| Ileus paralytic | 132.35 | 25.53 | 52 | 14541 | 11685 | 110563021 |
| Parkinsonism | 124.25 | 25.53 | 60 | 14533 | 22127 | 110552579 |
| Psychomotor hyperactivity | 123.20 | 25.53 | 58 | 14535 | 20219 | 110554487 |
| Pneumonia aspiration | 118.88 | 25.53 | 93 | 14500 | 81140 | 110493566 |
| Aggression | 118.78 | 25.53 | 82 | 14511 | 59128 | 110515578 |
| Psychotic disorder | 115.22 | 25.53 | 76 | 14517 | 50861 | 110523845 |
| Dystonia | 109.95 | 25.53 | 58 | 14535 | 25747 | 110548959 |
| Rhabdomyolysis | 107.55 | 25.53 | 104 | 14489 | 120297 | 110454409 |
| Depressed level of consciousness | 106.01 | 25.53 | 100 | 14493 | 112178 | 110462528 |
| Agitation | 99.75 | 25.53 | 97 | 14496 | 112954 | 110461752 |
| Stupor | 94.53 | 25.53 | 37 | 14556 | 8228 | 110566478 |
| Somnolence | 93.48 | 25.53 | 152 | 14441 | 297297 | 110277409 |
| Oromandibular dystonia | 91.32 | 25.53 | 23 | 14570 | 1196 | 110573510 |
| Psychomotor retardation | 89.53 | 25.53 | 35 | 14558 | 7757 | 110566949 |
| Self-injurious ideation | 89.32 | 25.53 | 30 | 14563 | 4316 | 110570390 |
| Coma | 87.28 | 25.53 | 92 | 14501 | 117777 | 110456929 |
| Psychiatric symptom | 80.51 | 25.53 | 34 | 14559 | 9179 | 110565527 |
| Delirium | 80.35 | 25.53 | 94 | 14499 | 134931 | 110439775 |
| Sedation | 79.38 | 25.53 | 69 | 14524 | 69614 | 110505092 |
| Drug abuse | 79.25 | 25.53 | 107 | 14486 | 177304 | 110397402 |
| Treatment noncompliance | 76.62 | 25.53 | 69 | 14524 | 72921 | 110501785 |
| Faecaloma | 76.53 | 25.53 | 38 | 14555 | 14870 | 110559836 |
| Arthralgia | 72.25 | 25.53 | 9 | 14584 | 779623 | 109795083 |
| Toxicity to various agents | 69.58 | 25.53 | 178 | 14415 | 480377 | 110094329 |
| Tardive dyskinesia | 67.89 | 25.53 | 34 | 14559 | 13545 | 110561161 |
| Dysarthria | 64.66 | 25.53 | 67 | 14526 | 84054 | 110490652 |
| Nausea | 63.24 | 25.53 | 43 | 14550 | 1235647 | 109339059 |
| Bradykinesia | 62.89 | 25.53 | 30 | 14563 | 10758 | 110563948 |
| Dysphagia | 61.63 | 25.53 | 88 | 14505 | 153512 | 110421194 |
| Headache | 58.08 | 25.53 | 22 | 14571 | 882355 | 109692351 |
| Electrocardiogram QT prolonged | 56.87 | 25.53 | 71 | 14522 | 108889 | 110465817 |
| Inappropriate affect | 56.82 | 25.53 | 17 | 14576 | 1682 | 110573024 |
| Logorrhoea | 56.01 | 25.53 | 22 | 14571 | 4935 | 110569771 |
| Overdose | 55.88 | 25.53 | 106 | 14487 | 233688 | 110341018 |
| Oropharyngeal spasm | 55.76 | 25.53 | 13 | 14580 | 487 | 110574219 |
| Catatonia | 55.63 | 25.53 | 28 | 14565 | 11272 | 110563434 |
| Disorientation | 55.59 | 25.53 | 57 | 14536 | 70614 | 110504092 |
| Urinary retention | 54.44 | 25.53 | 56 | 14537 | 69627 | 110505079 |
| Pain | 53.28 | 25.53 | 30 | 14563 | 954925 | 109619781 |
| Fatigue | 52.58 | 25.53 | 50 | 14543 | 1215908 | 109358798 |
| Hypothermia | 51.72 | 25.53 | 36 | 14557 | 26266 | 110548440 |
| Intentional product misuse | 51.64 | 25.53 | 75 | 14518 | 132829 | 110441877 |
| Reduced facial expression | 51.31 | 25.53 | 19 | 14574 | 3632 | 110571074 |
| Cogwheel rigidity | 51.08 | 25.53 | 19 | 14574 | 3679 | 110571027 |
| Mutism | 50.46 | 25.53 | 18 | 14575 | 3095 | 110571611 |
| Confabulation | 50.02 | 25.53 | 12 | 14581 | 509 | 110574197 |
| Irritability | 49.77 | 25.53 | 45 | 14548 | 47764 | 110526942 |
| Patient restraint | 49.39 | 25.53 | 9 | 14584 | 95 | 110574611 |
| Social avoidant behaviour | 47.53 | 25.53 | 20 | 14573 | 5349 | 110569357 |
| Peritonitis | 46.95 | 25.53 | 37 | 14556 | 32570 | 110542136 |
| Mental impairment | 46.90 | 25.53 | 32 | 14561 | 22607 | 110552099 |
| Blood prolactin increased | 46.88 | 25.53 | 19 | 14574 | 4623 | 110570083 |
| Galactorrhoea | 45.40 | 25.53 | 18 | 14575 | 4137 | 110570569 |
| Post-injection delirium sedation syndrome | 45.38 | 25.53 | 12 | 14581 | 757 | 110573949 |
| Hyponatraemia | 43.96 | 25.53 | 92 | 14501 | 217561 | 110357145 |
| Negative symptoms in schizophrenia | 42.66 | 25.53 | 9 | 14584 | 211 | 110574495 |
| Torticollis | 42.48 | 25.53 | 16 | 14577 | 3205 | 110571501 |
| Postoperative respiratory failure | 42.46 | 25.53 | 9 | 14584 | 216 | 110574490 |
| Refusal of treatment by patient | 42.31 | 25.53 | 22 | 14571 | 9472 | 110565234 |
| Disorganised speech | 42.09 | 25.53 | 16 | 14577 | 3287 | 110571419 |
| Intestinal pseudo-obstruction | 41.85 | 25.53 | 16 | 14577 | 3340 | 110571366 |
| Shock | 41.74 | 25.53 | 43 | 14550 | 53545 | 110521161 |
| Sluggishness | 40.96 | 25.53 | 20 | 14573 | 7547 | 110567159 |
| Sinus tachycardia | 40.76 | 25.53 | 39 | 14554 | 44454 | 110530252 |
| Resting tremor | 39.83 | 25.53 | 13 | 14580 | 1710 | 110572996 |
| Inappropriate antidiuretic hormone secretion | 39.51 | 25.53 | 34 | 14559 | 33817 | 110540889 |
| Sudden death | 37.99 | 25.53 | 29 | 14564 | 24366 | 110550340 |
| Urinary incontinence | 37.86 | 25.53 | 39 | 14554 | 48548 | 110526158 |
| Pain in extremity | 37.69 | 25.53 | 9 | 14584 | 487109 | 110087597 |
| Rabbit syndrome | 37.55 | 25.53 | 9 | 14584 | 380 | 110574326 |
| Hyperammonaemic encephalopathy | 37.55 | 25.53 | 17 | 14576 | 5417 | 110569289 |
| Abnormal behaviour | 37.24 | 25.53 | 35 | 14558 | 39004 | 110535702 |
| Drug level increased | 36.64 | 25.53 | 38 | 14555 | 47681 | 110527025 |
| Hypersensitivity | 36.56 | 25.53 | 5 | 14588 | 403993 | 110170713 |
| Oculogyric crisis | 36.36 | 25.53 | 15 | 14578 | 3817 | 110570889 |
| Disturbance in attention | 34.93 | 25.53 | 42 | 14551 | 61953 | 110512753 |
| Polydipsia | 34.79 | 25.53 | 18 | 14575 | 7670 | 110567036 |
| Olfactory nerve disorder | 34.77 | 25.53 | 6 | 14587 | 45 | 110574661 |
| Hallucination | 34.77 | 25.53 | 54 | 14539 | 101378 | 110473328 |
| Leukocytosis | 34.56 | 25.53 | 39 | 14554 | 53789 | 110520917 |
| Spasmodic dysphonia | 34.06 | 25.53 | 9 | 14584 | 566 | 110574140 |
| Asthenia | 33.79 | 25.53 | 25 | 14568 | 688974 | 109885732 |
| Intestinal dilatation | 33.77 | 25.53 | 14 | 14579 | 3606 | 110571100 |
| Cough | 32.94 | 25.53 | 10 | 14583 | 461631 | 110113075 |
| Accommodation disorder | 32.93 | 25.53 | 9 | 14584 | 644 | 110574062 |
| Paraplegia | 32.40 | 25.53 | 16 | 14577 | 6184 | 110568522 |
| Drug hypersensitivity | 32.10 | 25.53 | 10 | 14583 | 454080 | 110120626 |
| Dyspnoea | 32.05 | 25.53 | 61 | 14532 | 1106811 | 109467895 |
| Dysphoria | 31.85 | 25.53 | 16 | 14577 | 6412 | 110568294 |
| Hypernatraemia | 31.80 | 25.53 | 23 | 14570 | 17810 | 110556896 |
| Rash | 31.76 | 25.53 | 37 | 14556 | 820927 | 109753779 |
| Pruritus | 31.33 | 25.53 | 19 | 14574 | 581541 | 109993165 |
| Drug monitoring procedure incorrectly performed | 31.31 | 25.53 | 9 | 14584 | 774 | 110573932 |
| White blood cell count increased | 31.04 | 25.53 | 50 | 14543 | 96792 | 110477914 |
| Neutrophil count increased | 31.03 | 25.53 | 30 | 14563 | 34622 | 110540084 |
| Suicidal ideation | 30.79 | 25.53 | 49 | 14544 | 93888 | 110480818 |
| Loss of consciousness | 30.72 | 25.53 | 75 | 14518 | 196231 | 110378475 |
| Hypertonia | 30.52 | 25.53 | 17 | 14576 | 8389 | 110566317 |
| Akinesia | 30.27 | 25.53 | 13 | 14580 | 3654 | 110571052 |
| Swelling | 30.25 | 25.53 | 5 | 14588 | 351036 | 110223670 |
| Distractibility | 30.06 | 25.53 | 9 | 14584 | 892 | 110573814 |
| Obsessive-compulsive disorder | 30.05 | 25.53 | 16 | 14577 | 7225 | 110567481 |
| Eosinophilic myocarditis | 29.85 | 25.53 | 11 | 14582 | 2074 | 110572632 |
| Hallucination, visual | 29.44 | 25.53 | 31 | 14562 | 39574 | 110535132 |
| Abdominal discomfort | 29.07 | 25.53 | 8 | 14585 | 393850 | 110180856 |
| Seizure | 28.94 | 25.53 | 79 | 14514 | 221106 | 110353600 |
| Parkinsonism hyperpyrexia syndrome | 28.77 | 25.53 | 8 | 14585 | 610 | 110574096 |
| Drug intolerance | 28.64 | 25.53 | 9 | 14584 | 406503 | 110168203 |
| Parkinsonian gait | 28.52 | 25.53 | 9 | 14584 | 1063 | 110573643 |
| Gaze palsy | 27.87 | 25.53 | 12 | 14581 | 3395 | 110571311 |
| Diarrhoea | 27.07 | 25.53 | 70 | 14523 | 1139435 | 109435271 |
| Drug screen false positive | 26.36 | 25.53 | 9 | 14584 | 1360 | 110573346 |
| Tension | 26.22 | 25.53 | 13 | 14580 | 5065 | 110569641 |
| Self-destructive behaviour | 26.21 | 25.53 | 8 | 14585 | 847 | 110573859 |
| Thinking abnormal | 25.80 | 25.53 | 19 | 14574 | 15121 | 110559585 |
| Gastrointestinal necrosis | 25.68 | 25.53 | 14 | 14579 | 6626 | 110568080 |
| Colectomy total | 25.66 | 25.53 | 7 | 14586 | 497 | 110574209 |
| Negativism | 25.55 | 25.53 | 8 | 14585 | 921 | 110573785 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N04AA02 | NERVOUS SYSTEM ANTI-PARKINSON DRUGS ANTICHOLINERGIC AGENTS Tertiary amines |
| FDA MoA | N0000175370 | Cholinergic Antagonists |
| FDA EPC | N0000175574 | Anticholinergic |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:35474 | anxiolytic drug |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:48407 | antiparkinson drug |
| CHEBI has role | CHEBI:48876 | muscarinic antagonist |
| CHEBI has role | CHEBI:50370 | parasympatholytic |
| CHEBI has role | CHEBI:66956 | antidyskinesia agent |
| CHEBI has role | CHEBI:136860 | antidote to sarin poisoning |
| MeSH PA | D000978 | Antiparkinson Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D010276 | Parasympatholytics |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D018680 | Cholinergic Antagonists |
| MeSH PA | D018726 | Anti-Dyskinesia Agents |
| MeSH PA | D018727 | Muscarinic Antagonists |
| CHEBI has role | CHEBI:63726 | neuroprotective agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Postencephalitic parkinsonism | indication | 19972008 | DOID:14332 |
| Parkinsonism | indication | 32798002 | |
| Parkinson's disease | indication | 49049000 | DOID:14330 |
| Extrapyramidal disease | indication | 76349003 | |
| Arteriosclerotic Parkinsonism | indication | ||
| Urinary tract obstruction | contraindication | 7163005 | DOID:5200 |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Severe chronic ulcerative colitis | contraindication | 14311001 | |
| Disorder of autonomic nervous system | contraindication | 15241006 | |
| Toxic megacolon | contraindication | 28536002 | DOID:1770 |
| Atony of colon | contraindication | 29479008 | |
| Shigellosis | contraindication | 36188001 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Low blood pressure | contraindication | 45007003 | |
| Achalasia of esophagus | contraindication | 45564002 | DOID:9164 |
| Chronic heart failure | contraindication | 48447003 | |
| Dysuria | contraindication | 49650001 | |
| Paralytic ileus | contraindication | 55525008 | DOID:8442 |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Hiatal hernia | contraindication | 84089009 | DOID:12642 |
| Open-angle glaucoma | contraindication | 84494001 | DOID:1067 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Thyrotoxicosis | contraindication | 90739004 | DOID:7997 |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Tardive dyskinesia | contraindication | 102449007 | |
| Dysentery | contraindication | 111939009 | |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| Bleeding | contraindication | 131148009 | |
| Gastroesophageal reflux disease | contraindication | 235595009 | DOID:8534 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Retention of urine | contraindication | 267064002 | |
| Fever | contraindication | 386661006 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Pseudomembranous enterocolitis | contraindication | 397683000 | |
| Gastric ulcer | contraindication | 397825006 | DOID:10808 |
| Disorder of coronary artery | contraindication | 414024009 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.2 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | GPCR | ANTAGONIST | Kd | 9.32 | IUPHAR | CHEMBL | |||
| Muscarinic acetylcholine receptor M2 | GPCR | ANTAGONIST | Kd | 8.20 | IUPHAR | ||||
| Muscarinic acetylcholine receptor M3 | GPCR | ANTAGONIST | Kd | 8.41 | IUPHAR | ||||
| Muscarinic acetylcholine receptor M4 | GPCR | ANTAGONIST | Kd | 8.62 | IUPHAR | ||||
| Muscarinic acetylcholine receptor M5 | GPCR | Ki | 8.20 | PDSP | |||||
| Neuronal acetylcholine receptor subunit alpha-2 | Ion channel | WOMBAT-PK |
| ID | Source |
|---|---|
| 4019635 | VUID |
| N0000147728 | NUI |
| D00779 | KEGG_DRUG |
| 151311 | RXNORM |
| C0005578 | UMLSCUI |
| CHEBI:3112 | CHEBI |
| CHEMBL1101 | ChEMBL_ID |
| CHEMBL1201035 | ChEMBL_ID |
| CHEMBL1201067 | ChEMBL_ID |
| DB00810 | DRUGBANK_ID |
| D001712 | MESH_DESCRIPTOR_UI |
| 2381 | PUBCHEM_CID |
| 7128 | IUPHAR_LIGAND_ID |
| 915 | INN_ID |
| 1235-82-1 | SECONDARY_CAS_RN |
| 7085-45-2 | SECONDARY_CAS_RN |
| 0FRP6G56LD | UNII |
| 4285 | MMSL |
| d00972 | MMSL |
| 10020007 | SNOMEDCT_US |
| 387359004 | SNOMEDCT_US |
| 61742009 | SNOMEDCT_US |
| 65041000 | SNOMEDCT_US |
| 4018474 | VANDF |
| 4018475 | VANDF |
| 4019635 | VANDF |
| C036432 | MESH_SUPPLEMENTAL_RECORD_UI |
| 001644 | NDDF |
| 001645 | NDDF |
| 001646 | NDDF |
| 0FRP6G56LD | INXIGHT DRUGS |
None