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| Stem definition | Drug id | CAS RN |
|---|---|---|
| dopaminergic agents dopamine derivatives used as cardiac stimulant/antihypertensives/diuretics | 937 | 34368-04-2 |
| Dose | Unit | Route |
|---|---|---|
| 0.50 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0.10 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.13 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 0 % | |
| CL (Clearance) | 115 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.110 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.361 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 2.046 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 14.622 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 44.780 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 66.560 | % | High | 1 |
| herg | hERG pIC50 | 4.934 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 20.277 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 11.041 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 54.880 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 69 | |||
| kinase-selectivity-class | ACVR2B,ACVRL1,AXL,BRAF,CAMK2B,CAMK2D,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,GRK2,INSR,JAK2,MAP2K6,MAPK12,MAPK8,PRKCD,SIK2,STK33,SYK,TEK,TGFBR1,ULK1,ULK2 | 26 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.506 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 217.270 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 60.440 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 5.117 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 69.270 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 115.080 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 81.010 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 49.540 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 595.662 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 18, 1978 | FDA |
| 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 |
|---|---|---|---|---|---|---|
| Stress cardiomyopathy | 216.75 | 27.25 | 64 | 5440 | 13291 | 90609652 |
| Drug ineffective | 215.25 | 27.25 | 333 | 5171 | 1383965 | 89238978 |
| Cardiogenic shock | 205.46 | 27.25 | 71 | 5433 | 24397 | 90598546 |
| Multiple organ dysfunction syndrome | 135.17 | 27.25 | 71 | 5433 | 68265 | 90554678 |
| Cardiac failure | 83.35 | 27.25 | 62 | 5442 | 109434 | 90513509 |
| Drug ineffective for unapproved indication | 67.59 | 27.25 | 45 | 5459 | 66599 | 90556344 |
| Vasoplegia syndrome | 66.03 | 27.25 | 18 | 5486 | 2796 | 90620147 |
| Toxic epidermal necrolysis | 64.82 | 27.25 | 34 | 5470 | 32494 | 90590449 |
| Ventricular fibrillation | 56.99 | 27.25 | 24 | 5480 | 14020 | 90608923 |
| Pulmonary hypertension | 56.31 | 27.25 | 34 | 5470 | 42489 | 90580454 |
| Septic shock | 51.70 | 27.25 | 42 | 5462 | 84118 | 90538825 |
| Pulmonary arterial hypertension | 51.11 | 27.25 | 27 | 5477 | 26160 | 90596783 |
| Cardiac arrest | 49.47 | 27.25 | 45 | 5459 | 104890 | 90518053 |
| Renal impairment | 49.29 | 27.25 | 45 | 5459 | 105376 | 90517567 |
| Ventricular tachycardia | 44.08 | 27.25 | 24 | 5480 | 24684 | 90598259 |
| Right ventricular failure | 43.82 | 27.25 | 22 | 5482 | 19183 | 90603760 |
| Ventricular hypokinesia | 42.85 | 27.25 | 15 | 5489 | 5326 | 90617617 |
| Sepsis | 41.80 | 27.25 | 53 | 5451 | 179761 | 90443182 |
| Shock | 40.67 | 27.25 | 24 | 5480 | 28754 | 90594189 |
| Complications of transplanted heart | 40.63 | 27.25 | 7 | 5497 | 121 | 90622822 |
| Condition aggravated | 38.24 | 27.25 | 100 | 5404 | 595445 | 90027498 |
| Left ventricle outflow tract obstruction | 37.79 | 27.25 | 8 | 5496 | 424 | 90622519 |
| Stevens-Johnson syndrome | 37.63 | 27.25 | 23 | 5481 | 29353 | 90593590 |
| Local anaesthetic systemic toxicity | 36.63 | 27.25 | 12 | 5492 | 3488 | 90619455 |
| Heparin-induced thrombocytopenia | 35.39 | 27.25 | 13 | 5491 | 5299 | 90617644 |
| Disseminated mucormycosis | 34.28 | 27.25 | 8 | 5496 | 663 | 90622280 |
| Respiratory failure | 34.22 | 27.25 | 39 | 5465 | 118379 | 90504564 |
| Hypoxia | 34.01 | 27.25 | 31 | 5473 | 72368 | 90550575 |
| Renal failure | 32.65 | 27.25 | 40 | 5464 | 130967 | 90491976 |
| Heart transplant rejection | 32.46 | 27.25 | 8 | 5496 | 836 | 90622107 |
| Fatigue | 32.24 | 27.25 | 15 | 5489 | 1154008 | 89468935 |
| Ureaplasma infection | 31.91 | 27.25 | 8 | 5496 | 897 | 90622046 |
| Off label use | 31.49 | 27.25 | 141 | 5363 | 1102111 | 89520832 |
| Haemodynamic instability | 31.43 | 27.25 | 15 | 5489 | 11724 | 90611219 |
| Disseminated intravascular coagulation | 30.53 | 27.25 | 18 | 5486 | 21520 | 90601423 |
| Status epilepticus | 30.01 | 27.25 | 17 | 5487 | 18857 | 90604086 |
| Hypotension | 29.97 | 27.25 | 63 | 5441 | 325334 | 90297609 |
| Pulmonary oedema | 29.97 | 27.25 | 27 | 5477 | 62053 | 90560890 |
| Lactic acidosis | 28.50 | 27.25 | 24 | 5480 | 50439 | 90572504 |
| Torsade de pointes | 27.78 | 27.25 | 15 | 5489 | 15167 | 90607776 |
| Fungal sepsis | 27.69 | 27.25 | 8 | 5496 | 1533 | 90621410 |
| Ascites | 27.57 | 27.25 | 23 | 5481 | 47717 | 90575226 |
| 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 |
|---|---|---|---|---|---|---|
| Appendicolith | 620.51 | 35.93 | 213 | 13647 | 13243 | 42594232 |
| Appendicitis | 549.38 | 35.93 | 218 | 13642 | 20395 | 42587080 |
| Multiple organ dysfunction syndrome | 455.90 | 35.93 | 320 | 13540 | 96715 | 42510760 |
| Stress | 440.53 | 35.93 | 236 | 13624 | 43976 | 42563499 |
| Ventricular fibrillation | 414.38 | 35.93 | 200 | 13660 | 29923 | 42577552 |
| Ascites | 357.94 | 35.93 | 225 | 13635 | 56453 | 42551022 |
| Blood phosphorus increased | 338.81 | 35.93 | 134 | 13726 | 12391 | 42595084 |
| Abdominal distension | 314.33 | 35.93 | 227 | 13633 | 71508 | 42535967 |
| Myasthenia gravis | 302.77 | 35.93 | 133 | 13727 | 16004 | 42591471 |
| Hyperphosphataemia | 272.84 | 35.93 | 116 | 13744 | 12888 | 42594587 |
| Hyponatraemia | 247.10 | 35.93 | 228 | 13632 | 101234 | 42506241 |
| Analgesic therapy | 238.48 | 35.93 | 87 | 13773 | 6437 | 42601038 |
| Sleep disorder therapy | 226.49 | 35.93 | 85 | 13775 | 6809 | 42600666 |
| Blood uric acid increased | 221.97 | 35.93 | 106 | 13754 | 15441 | 42592034 |
| Drug therapy | 214.47 | 35.93 | 80 | 13780 | 6300 | 42601175 |
| Hypophosphataemia | 214.44 | 35.93 | 114 | 13746 | 20831 | 42586644 |
| Incorrect route of product administration | 212.05 | 35.93 | 119 | 13741 | 24186 | 42583289 |
| Neuralgia | 206.09 | 35.93 | 119 | 13741 | 25528 | 42581947 |
| Bacterial infection | 204.67 | 35.93 | 122 | 13738 | 27757 | 42579718 |
| General physical health deterioration | 200.60 | 35.93 | 246 | 13614 | 151000 | 42456475 |
| Sepsis | 191.77 | 35.93 | 277 | 13583 | 199057 | 42408418 |
| Blood cholesterol increased | 191.04 | 35.93 | 115 | 13745 | 26626 | 42580849 |
| Dry mouth | 183.12 | 35.93 | 130 | 13730 | 39749 | 42567726 |
| Iron deficiency | 175.08 | 35.93 | 81 | 13779 | 10980 | 42596495 |
| Antacid therapy | 157.99 | 35.93 | 59 | 13801 | 4658 | 42602817 |
| Activated partial thromboplastin time prolonged | 150.00 | 35.93 | 82 | 13778 | 15821 | 42591654 |
| Anticoagulant therapy | 149.25 | 35.93 | 56 | 13804 | 4479 | 42602996 |
| Constipation | 128.17 | 35.93 | 206 | 13654 | 162085 | 42445390 |
| Diabetes mellitus | 125.07 | 35.93 | 124 | 13736 | 59963 | 42547512 |
| Swelling | 124.99 | 35.93 | 119 | 13741 | 54766 | 42552709 |
| Thrombosis | 123.78 | 35.93 | 131 | 13729 | 68380 | 42539095 |
| End stage renal disease | 122.86 | 35.93 | 73 | 13787 | 16485 | 42590990 |
| Intentional product misuse | 118.33 | 35.93 | 122 | 13738 | 61778 | 42545697 |
| Abdominal pain | 115.36 | 35.93 | 215 | 13645 | 190256 | 42417219 |
| Chronic obstructive pulmonary disease | 112.79 | 35.93 | 120 | 13740 | 62994 | 42544481 |
| Ulcer | 110.42 | 35.93 | 68 | 13792 | 16373 | 42591102 |
| Blood calcium increased | 109.64 | 35.93 | 54 | 13806 | 8400 | 42599075 |
| Sleep disorder | 108.96 | 35.93 | 104 | 13756 | 47991 | 42559484 |
| Drug hypersensitivity | 103.93 | 35.93 | 144 | 13716 | 99245 | 42508230 |
| Congenital hiatus hernia | 100.13 | 35.93 | 46 | 13814 | 6128 | 42601347 |
| Bronchopulmonary aspergillosis allergic | 96.32 | 35.93 | 41 | 13819 | 4557 | 42602918 |
| Troponin increased | 94.08 | 35.93 | 65 | 13795 | 18997 | 42588478 |
| Drug intolerance | 92.37 | 35.93 | 122 | 13738 | 80302 | 42527173 |
| Condition aggravated | 91.20 | 35.93 | 236 | 13624 | 260518 | 42346957 |
| Blood test abnormal | 90.81 | 35.93 | 55 | 13805 | 12851 | 42594624 |
| Gout | 88.08 | 35.93 | 73 | 13787 | 27982 | 42579493 |
| Somnolence | 84.95 | 35.93 | 159 | 13701 | 140946 | 42466529 |
| Hyperlipidaemia | 82.56 | 35.93 | 63 | 13797 | 21453 | 42586022 |
| Aortic stenosis | 82.18 | 35.93 | 45 | 13815 | 8700 | 42598775 |
| Drug ineffective | 76.60 | 35.93 | 404 | 13456 | 629793 | 41977682 |
| Total lung capacity decreased | 75.32 | 35.93 | 32 | 13828 | 3538 | 42603937 |
| Bacteroides infection | 71.01 | 35.93 | 28 | 13832 | 2559 | 42604916 |
| Pulmonary embolism | 70.97 | 35.93 | 134 | 13726 | 119478 | 42487997 |
| Diarrhoea | 65.92 | 35.93 | 34 | 13826 | 460815 | 42146660 |
| Pleuritic pain | 62.61 | 35.93 | 35 | 13825 | 7042 | 42600433 |
| Vomiting | 62.22 | 35.93 | 221 | 13639 | 289502 | 42317973 |
| Stress cardiomyopathy | 62.22 | 35.93 | 26 | 13834 | 2759 | 42604716 |
| Fall | 60.66 | 35.93 | 4 | 13856 | 234516 | 42372959 |
| Aspiration | 55.00 | 35.93 | 46 | 13814 | 17840 | 42589635 |
| Lung opacity | 54.74 | 35.93 | 30 | 13830 | 5807 | 42601668 |
| Fatigue | 54.05 | 35.93 | 38 | 13822 | 435603 | 42171872 |
| Dizziness | 52.46 | 35.93 | 9 | 13851 | 249245 | 42358230 |
| Micturition urgency | 50.45 | 35.93 | 37 | 13823 | 11861 | 42595614 |
| Cardiogenic shock | 50.33 | 35.93 | 60 | 13800 | 35580 | 42571895 |
| Decreased appetite | 47.92 | 35.93 | 4 | 13856 | 193133 | 42414342 |
| Platelet distribution width increased | 47.88 | 35.93 | 11 | 13849 | 150 | 42607325 |
| Off label use | 44.97 | 35.93 | 357 | 13503 | 637978 | 41969497 |
| Weight decreased | 44.88 | 35.93 | 7 | 13853 | 207941 | 42399534 |
| Malaise | 43.89 | 35.93 | 8 | 13852 | 212148 | 42395327 |
| Joint injury | 43.59 | 35.93 | 37 | 13823 | 14639 | 42592836 |
| Breath sounds abnormal | 43.31 | 35.93 | 34 | 13826 | 12059 | 42595416 |
| Febrile neutropenia | 43.04 | 35.93 | 5 | 13855 | 185698 | 42421777 |
| Confusional state | 42.90 | 35.93 | 3 | 13857 | 167594 | 42439881 |
| Toxic epidermal necrolysis | 42.74 | 35.93 | 48 | 13812 | 26702 | 42580773 |
| Product use in unapproved indication | 39.73 | 35.93 | 141 | 13719 | 184315 | 42423160 |
| Pruritus | 39.29 | 35.93 | 7 | 13853 | 188764 | 42418711 |
| Lower respiratory tract infection | 37.55 | 35.93 | 56 | 13804 | 41150 | 42566325 |
| 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 |
|---|---|---|---|---|---|---|
| Appendicolith | 771.49 | 32.17 | 219 | 18542 | 14036 | 110556502 |
| Multiple organ dysfunction syndrome | 642.50 | 32.17 | 369 | 18392 | 151341 | 110419197 |
| Appendicitis | 641.61 | 32.17 | 224 | 18537 | 28240 | 110542298 |
| Ventricular fibrillation | 556.85 | 32.17 | 223 | 18538 | 41090 | 110529448 |
| Ascites | 441.87 | 32.17 | 244 | 18517 | 92564 | 110477974 |
| Blood phosphorus increased | 428.14 | 32.17 | 144 | 18617 | 16196 | 110554342 |
| Stress | 415.67 | 32.17 | 245 | 18516 | 105103 | 110465435 |
| Myasthenia gravis | 374.74 | 32.17 | 140 | 18621 | 21371 | 110549167 |
| Hyperphosphataemia | 342.56 | 32.17 | 122 | 18639 | 16259 | 110554279 |
| Analgesic therapy | 314.64 | 32.17 | 94 | 18667 | 7190 | 110563348 |
| Sleep disorder therapy | 303.69 | 32.17 | 92 | 18669 | 7379 | 110563159 |
| Abdominal distension | 296.53 | 32.17 | 242 | 18519 | 174861 | 110395677 |
| Drug therapy | 284.47 | 32.17 | 87 | 18674 | 7204 | 110563334 |
| Sepsis | 283.82 | 32.17 | 312 | 18449 | 327034 | 110243504 |
| Blood uric acid increased | 278.79 | 32.17 | 113 | 18648 | 21416 | 110549122 |
| Hypophosphataemia | 253.12 | 32.17 | 120 | 18641 | 33062 | 110537476 |
| Hyponatraemia | 251.03 | 32.17 | 242 | 18519 | 217411 | 110353127 |
| Drug ineffective | 244.92 | 32.17 | 683 | 18078 | 1519857 | 109050681 |
| Bacterial infection | 238.17 | 32.17 | 128 | 18633 | 45908 | 110524630 |
| Stress cardiomyopathy | 225.58 | 32.17 | 89 | 18672 | 15717 | 110554821 |
| Neuralgia | 223.74 | 32.17 | 125 | 18636 | 48353 | 110522185 |
| Antacid therapy | 212.07 | 32.17 | 65 | 18696 | 5419 | 110565119 |
| Cardiogenic shock | 206.82 | 32.17 | 126 | 18635 | 57212 | 110513326 |
| Iron deficiency | 205.47 | 32.17 | 87 | 18674 | 18389 | 110552149 |
| Activated partial thromboplastin time prolonged | 202.13 | 32.17 | 91 | 18670 | 22277 | 110548261 |
| Anticoagulant therapy | 200.78 | 32.17 | 62 | 18699 | 5299 | 110565239 |
| Incorrect route of product administration | 193.98 | 32.17 | 126 | 18635 | 63935 | 110506603 |
| End stage renal disease | 167.85 | 32.17 | 79 | 18682 | 21394 | 110549144 |
| Thrombosis | 160.64 | 32.17 | 139 | 18622 | 108523 | 110462015 |
| Diabetes mellitus | 154.79 | 32.17 | 131 | 18630 | 99250 | 110471288 |
| General physical health deterioration | 147.70 | 32.17 | 261 | 18500 | 425034 | 110145504 |
| Chronic obstructive pulmonary disease | 136.36 | 32.17 | 127 | 18634 | 109031 | 110461507 |
| Constipation | 135.20 | 32.17 | 228 | 18533 | 357558 | 110212980 |
| Congenital hiatus hernia | 132.26 | 32.17 | 47 | 18714 | 6212 | 110564326 |
| Gout | 125.81 | 32.17 | 78 | 18683 | 36488 | 110534050 |
| Troponin increased | 124.50 | 32.17 | 72 | 18689 | 29694 | 110540844 |
| Intentional product misuse | 124.14 | 32.17 | 132 | 18629 | 132772 | 110437766 |
| Blood calcium increased | 118.72 | 32.17 | 59 | 18702 | 17981 | 110552557 |
| Aortic stenosis | 111.24 | 32.17 | 51 | 18710 | 13008 | 110557530 |
| Condition aggravated | 105.46 | 32.17 | 318 | 18443 | 734518 | 109836020 |
| Bronchopulmonary aspergillosis allergic | 104.84 | 32.17 | 43 | 18718 | 8383 | 110562155 |
| Hyperlipidaemia | 104.78 | 32.17 | 69 | 18692 | 35779 | 110534759 |
| Ulcer | 104.69 | 32.17 | 74 | 18687 | 43042 | 110527496 |
| Pulmonary embolism | 102.06 | 32.17 | 152 | 18609 | 214322 | 110356216 |
| Arthralgia | 96.84 | 32.17 | 10 | 18751 | 779622 | 109790916 |
| Blood test abnormal | 95.92 | 32.17 | 60 | 18701 | 28494 | 110542044 |
| Total lung capacity decreased | 90.89 | 32.17 | 37 | 18724 | 7077 | 110563461 |
| Somnolence | 88.55 | 32.17 | 171 | 18590 | 297278 | 110273260 |
| Dry mouth | 88.45 | 32.17 | 137 | 18624 | 199811 | 110370727 |
| Bacteroides infection | 85.50 | 32.17 | 28 | 18733 | 2891 | 110567647 |
| Abdominal pain | 84.06 | 32.17 | 233 | 18528 | 512756 | 110057782 |
| Toxic epidermal necrolysis | 82.62 | 32.17 | 72 | 18689 | 56655 | 110513883 |
| Fatigue | 81.89 | 32.17 | 53 | 18708 | 1215905 | 109354633 |
| Off label use | 74.70 | 32.17 | 471 | 18290 | 1499714 | 109070824 |
| Blood cholesterol increased | 73.99 | 32.17 | 121 | 18640 | 184664 | 110385874 |
| Fall | 69.35 | 32.17 | 10 | 18751 | 603472 | 109967066 |
| Lung opacity | 67.59 | 32.17 | 35 | 18726 | 11617 | 110558921 |
| Aspiration | 66.34 | 32.17 | 49 | 18712 | 30484 | 110540054 |
| Dizziness | 64.94 | 32.17 | 19 | 18742 | 698174 | 109872364 |
| Ventricular tachycardia | 63.98 | 32.17 | 59 | 18702 | 49950 | 110520588 |
| Benign prostatic hyperplasia | 62.97 | 32.17 | 39 | 18722 | 18195 | 110552343 |
| Vasoplegia syndrome | 61.74 | 32.17 | 26 | 18735 | 5413 | 110565125 |
| Micturition urgency | 60.89 | 32.17 | 39 | 18722 | 19281 | 110551257 |
| Pleuritic pain | 59.51 | 32.17 | 36 | 18725 | 16104 | 110554434 |
| Right ventricular failure | 59.44 | 32.17 | 43 | 18718 | 25911 | 110544627 |
| Diarrhoea | 56.82 | 32.17 | 66 | 18695 | 1139439 | 109431099 |
| Sleep disorder | 55.18 | 32.17 | 111 | 18650 | 198533 | 110372005 |
| Platelet distribution width increased | 54.94 | 32.17 | 11 | 18750 | 151 | 110570387 |
| Confusional state | 53.28 | 32.17 | 8 | 18753 | 468672 | 110101866 |
| Weight decreased | 53.18 | 32.17 | 8 | 18753 | 468049 | 110102489 |
| Pain in extremity | 51.66 | 32.17 | 10 | 18751 | 487108 | 110083430 |
| Heparin-induced thrombocytopenia | 51.42 | 32.17 | 29 | 18732 | 11395 | 110559143 |
| Malaise | 51.26 | 32.17 | 25 | 18736 | 671794 | 109898744 |
| Infusion related reaction | 49.63 | 32.17 | 4 | 18757 | 381158 | 110189380 |
| Pruritus | 48.53 | 32.17 | 19 | 18742 | 581541 | 109988997 |
| Cardiac failure | 47.58 | 32.17 | 101 | 18660 | 187525 | 110383013 |
| Nasopharyngitis | 46.53 | 32.17 | 6 | 18755 | 394355 | 110176183 |
| Abdominal discomfort | 46.45 | 32.17 | 6 | 18755 | 393852 | 110176686 |
| Decreased appetite | 45.98 | 32.17 | 12 | 18749 | 475834 | 110094704 |
| Hypersensitivity | 45.67 | 32.17 | 7 | 18754 | 403991 | 110166547 |
| Respiratory symptom | 44.23 | 32.17 | 29 | 18732 | 14916 | 110555622 |
| Drug ineffective for unapproved indication | 43.39 | 32.17 | 69 | 18692 | 102769 | 110467769 |
| Breath sounds abnormal | 42.64 | 32.17 | 35 | 18726 | 25369 | 110545169 |
| Rash | 42.55 | 32.17 | 46 | 18715 | 820918 | 109749620 |
| Product use in unapproved indication | 41.62 | 32.17 | 168 | 18593 | 447209 | 110123329 |
| Complications of transplanted heart | 38.36 | 32.17 | 10 | 18751 | 462 | 110570076 |
| Drug hypersensitivity | 37.92 | 32.17 | 165 | 18596 | 453925 | 110116613 |
| Eosinophilic myocarditis | 37.86 | 32.17 | 14 | 18747 | 2071 | 110568467 |
| Insomnia | 36.97 | 32.17 | 8 | 18753 | 360582 | 110209956 |
| Cardiovascular disorder | 35.39 | 32.17 | 30 | 18731 | 22730 | 110547808 |
| Heart transplant rejection | 34.61 | 32.17 | 13 | 18748 | 2008 | 110568530 |
| Joint injury | 34.28 | 32.17 | 38 | 18723 | 39956 | 110530582 |
| Low cardiac output syndrome | 33.97 | 32.17 | 11 | 18750 | 1095 | 110569443 |
| Blood creatinine increased | 33.81 | 32.17 | 87 | 18674 | 182802 | 110387736 |
| Hepatic enzyme increased | 33.14 | 32.17 | 7 | 18754 | 320885 | 110249653 |
| Hypernatraemia | 32.97 | 32.17 | 26 | 18735 | 17807 | 110552731 |
| Shock | 32.94 | 32.17 | 43 | 18718 | 53545 | 110516993 |
| Weight increased | 32.92 | 32.17 | 15 | 18746 | 419629 | 110150909 |
| Febrile neutropenia | 32.53 | 32.17 | 7 | 18754 | 316760 | 110253778 |
| Left ventricle outflow tract obstruction | 32.33 | 32.17 | 9 | 18752 | 534 | 110570004 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C01CA07 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES Adrenergic and dopaminergic agents |
| FDA MoA | N0000000245 | Adrenergic beta-Agonists |
| FDA EPC | N0000175555 | beta-Adrenergic Agonist |
| MeSH PA | D000318 | Adrenergic beta-Agonists |
| MeSH PA | D002316 | Cardiotonic Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D013566 | Sympathomimetics |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D020011 | Protective Agents |
| MeSH PA | D058665 | Adrenergic beta-1 Receptor Agonists |
| CHEBI has role | CHEBI:35522 | ฮฒ-adrenergic agonist |
| CHEBI has role | CHEBI:35524 | sympathomimetic agent |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:38147 | cardiotonic drug |
| CHEBI has role | CHEBI:63726 | neuroprotective agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Cardiogenic shock | indication | 89138009 | |
| Decompensated cardiac failure | indication | 195111005 | |
| Stress echocardiography using dobutamine | indication | 703338002 | |
| Cardiac Decompensation | indication | ||
| Cardiac Decompensation Post Cardiac Surgery | indication | ||
| Organic Cardiac Disease | indication | ||
| Ventricular premature beats | contraindication | 17338001 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Hypovolemia | contraindication | 28560003 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Hypokalemia | contraindication | 43339004 | |
| Atrial fibrillation | contraindication | 49436004 | DOID:0060224 |
| Aortic valve stenosis | contraindication | 60573004 | DOID:1712 |
| Idiopathic hypertrophic subaortic stenosis | contraindication | 360465008 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.98 | acidic |
| pKa2 | 10.59 | acidic |
| pKa3 | 13.49 | acidic |
| pKa4 | 9.03 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | AGONIST | EC50 | 5.50 | WOMBAT-PK | CHEMBL | |||
| Beta-2 adrenergic receptor | GPCR | AGONIST | EC50 | 6.20 | WOMBAT-PK | CHEMBL | |||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 5.98 | DRUG MATRIX | |||||
| Sodium-dependent serotonin transporter | Transporter | Ki | 6.00 | DRUG MATRIX | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 6.42 | DRUG MATRIX | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 5.87 | DRUG MATRIX | |||||
| D(3) dopamine receptor | GPCR | Ki | 5.77 | DRUG MATRIX | |||||
| Sodium-dependent dopamine transporter | Transporter | Ki | 6.91 | DRUG MATRIX | |||||
| Carbonic anhydrase 2 | Enzyme | Ki | 6.32 | CHEMBL | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 7.35 | DRUG MATRIX | |||||
| Carbonic anhydrase 1 | Enzyme | Ki | 5.72 | CHEMBL | |||||
| Carbonic anhydrase 4 | Enzyme | Ki | 5.05 | CHEMBL | |||||
| Carbonic anhydrase 9 | Enzyme | Ki | 5.01 | CHEMBL | |||||
| Carbonic anhydrase 12 | Enzyme | Ki | 5.36 | CHEMBL | |||||
| Epidermal growth factor receptor | Kinase | IC50 | 5.26 | DRUG MATRIX | |||||
| Carbonic anhydrase 5A, mitochondrial | Enzyme | Ki | 6.14 | CHEMBL | |||||
| Carbonic anhydrase 5B, mitochondrial | Enzyme | Ki | 6.05 | CHEMBL | |||||
| Carbonic anhydrase 7 | Enzyme | Ki | 5.37 | CHEMBL | |||||
| Tyrosine-protein kinase Lck | Kinase | IC50 | 5.26 | DRUG MATRIX | |||||
| Tyrosine-protein kinase Fyn | Kinase | IC50 | 5.40 | DRUG MATRIX | |||||
| Catechol O-methyltransferase | Enzyme | Km | 4.30 | WOMBAT-PK | |||||
| Carbonic anhydrase 3 | Enzyme | Ki | 5.13 | CHEMBL | |||||
| Carbonic anhydrase 6 | Enzyme | Ki | 5.02 | CHEMBL | |||||
| Carbonic anhydrase 14 | Enzyme | Ki | 4.92 | CHEMBL | |||||
| Solute carrier family 22 member 1 | Transporter | IC50 | 5.38 | CHEMBL | |||||
| Carbonic anhydrase 13 | Enzyme | Ki | 5.02 | CHEMBL | |||||
| Arachidonate 15-lipoxygenase | Enzyme | IC50 | 6.22 | DRUG MATRIX | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 6.73 | DRUG MATRIX | |||||
| Membrane-associated progesterone receptor component 1 | Membrane receptor | Ki | 5.80 | DRUG MATRIX | |||||
| Alpha-1A adrenergic receptor | GPCR | IC50 | 6.96 | CHEMBL | |||||
| Carbonic anhydrase 15 | Enzyme | Ki | 6.41 | CHEMBL |
| ID | Source |
|---|---|
| 4019730 | VUID |
| N0000147822 | NUI |
| D00632 | KEGG_DRUG |
| 49745-95-1 | SECONDARY_CAS_RN |
| 203121 | RXNORM |
| 4017541 | VANDF |
| 4019730 | VANDF |
| C0012963 | UMLSCUI |
| CHEBI:4670 | CHEBI |
| Y00 | PDB_CHEM_ID |
| CHEMBL926 | ChEMBL_ID |
| CHEMBL1200418 | ChEMBL_ID |
| DB00841 | DRUGBANK_ID |
| D004280 | MESH_DESCRIPTOR_UI |
| 36811 | PUBCHEM_CID |
| 535 | IUPHAR_LIGAND_ID |
| 3340 | INN_ID |
| 3S12J47372 | UNII |
| 2871 | MMSL |
| 4625 | MMSL |
| d00215 | MMSL |
| 000614 | NDDF |
| 000615 | NDDF |
| 26523005 | SNOMEDCT_US |
| 387145002 | SNOMEDCT_US |
| 90118002 | SNOMEDCT_US |
| 3S12J47372 | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Dobutamine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-9141 | INJECTION, SOLUTION | 12.50 mg | INTRAVENOUS | ANDA | 20 sections |
| Dobutamine Hydrochloride in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0338-1073 | INJECTION | 100 mg | INTRAVENOUS | NDA | 18 sections |
| Dobutamine Hydrochloride in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0338-1075 | INJECTION | 200 mg | INTRAVENOUS | NDA | 18 sections |
| Dobutamine Hydrochloride in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0338-1077 | INJECTION | 400 mg | INTRAVENOUS | NDA | 18 sections |
| Dobutamine in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-0025 | INJECTION, SOLUTION | 100 mg | INTRAVENOUS | NDA | 18 sections |
| Dobutamine in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-0151 | INJECTION, SOLUTION | 200 mg | INTRAVENOUS | NDA | 18 sections |
| Dobutamine in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-1100 | INJECTION, SOLUTION | 400 mg | INTRAVENOUS | NDA | 18 sections |
| DOBUTAMINE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-2344 | INJECTION, SOLUTION, CONCENTRATE | 12.50 mg | INTRAVENOUS | ANDA | 21 sections |
| DOBUTAMINE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-2344 | INJECTION, SOLUTION, CONCENTRATE | 12.50 mg | INTRAVENOUS | ANDA | 21 sections |
| Dobutamine in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-2346 | INJECTION, SOLUTION | 100 mg | INTRAVENOUS | NDA | 18 sections |
| Dobutamine in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-2347 | INJECTION, SOLUTION | 200 mg | INTRAVENOUS | NDA | 18 sections |
| Dobutamine in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-3724 | INJECTION, SOLUTION | 400 mg | INTRAVENOUS | NDA | 18 sections |
| Dobutamine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 14335-171 | INJECTION, SOLUTION, CONCENTRATE | 12.50 mg | INTRAVENOUS | ANDA | 21 sections |
| Dobutamine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 14335-172 | INJECTION, SOLUTION, CONCENTRATE | 12.50 mg | INTRAVENOUS | ANDA | 21 sections |
| Dobutamine Hydrochloride in Dextrose | HUMAN PRESCRIPTION DRUG LABEL | 1 | 50090-4562 | INJECTION | 400 mg | INTRAVENOUS | NDA | 18 sections |
| DOBUTAMINE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 51662-1330 | INJECTION, SOLUTION | 200 mg | INTRAVENOUS | NDA | 12 sections |
| DOBUTAMINE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 51662-1337 | INJECTION, SOLUTION, CONCENTRATE | 12.50 mg | INTRAVENOUS | ANDA | 12 sections |
| DOBUTAMINE HYDROCHLORIDE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 51662-1566 | INJECTION | 100 mg | INTRAVENOUS | NDA | 11 sections |
| DOBUTAMINE IN DEXTROSE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 51662-1664 | INJECTION, SOLUTION | 100 mg | INTRAVENOUS | NDA | 12 sections |
| DOBUTAMINE IN DEXTROSE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 51662-1697 | INJECTION, SOLUTION | 100 mg | INTRAVENOUS | NDA | 11 sections |
| DOBUTAMINE IN DEXTROSE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 51662-1705 | INJECTION, SOLUTION | 200 mg | INTRAVENOUS | NDA | 12 sections |
| Dobutamine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 54868-5717 | INJECTION, SOLUTION | 12.50 mg | INTRAVENOUS | ANDA | 11 sections |
| Dobutamine Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 54868-5777 | INJECTION, SOLUTION | 400 mg | INTRAVENOUS | NDA | 12 sections |
| Dobutamine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 70436-203 | INJECTION | 250 mg | INTRAVENOUS | ANDA | 21 sections |