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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1732 | 537-46-2 |
| Dose | Unit | Route |
|---|---|---|
| 15 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 0 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 1000 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 40 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.92 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 67 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 4.30 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 4.40 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.85 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 12 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK12,MAPK7,MET,NTRK2,PDK2,PDK4,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1 | 38 | |||
| kinase-selectivity-class | AKT3,AXL,BRAF,FLT3,GRK2,PDK4,PRKCD,SIK2 | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 31, 1943 | FDA | RECORDATI RARE |
| 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 |
|---|---|---|---|---|---|---|
| Drug abuse | 5371.62 | 57.01 | 1182 | 4523 | 81165 | 90541577 |
| Toxicity to various agents | 1971.70 | 57.01 | 714 | 4991 | 287132 | 90335610 |
| Completed suicide | 743.11 | 57.01 | 294 | 5411 | 144764 | 90477978 |
| Cardiac arrest | 329.99 | 57.01 | 151 | 5554 | 104784 | 90517958 |
| Respiratory arrest | 320.79 | 57.01 | 108 | 5597 | 33203 | 90589539 |
| Cardio-respiratory arrest | 300.94 | 57.01 | 122 | 5583 | 63018 | 90559724 |
| Death | 255.65 | 57.01 | 218 | 5487 | 456333 | 90166409 |
| Substance abuse | 175.32 | 57.01 | 45 | 5660 | 5361 | 90617381 |
| Substance use disorder | 161.85 | 57.01 | 35 | 5670 | 1985 | 90620757 |
| Prescription drug used without a prescription | 119.88 | 57.01 | 30 | 5675 | 3225 | 90619517 |
| Substance use | 114.41 | 57.01 | 24 | 5681 | 1175 | 90621567 |
| Overdose | 105.79 | 57.01 | 84 | 5621 | 157625 | 90465117 |
| Amphetamines positive | 104.27 | 57.01 | 17 | 5688 | 199 | 90622543 |
| Drug screen positive | 96.49 | 57.01 | 26 | 5679 | 3731 | 90619011 |
| Drug use disorder | 96.02 | 57.01 | 31 | 5674 | 8312 | 90614430 |
| Opiates positive | 90.59 | 57.01 | 16 | 5689 | 310 | 90622432 |
| Exposure to toxic agent | 73.28 | 57.01 | 25 | 5680 | 7942 | 90614800 |
| Substance-induced psychotic disorder | 69.39 | 57.01 | 19 | 5686 | 2893 | 90619849 |
| Suspected suicide | 61.42 | 57.01 | 23 | 5682 | 9545 | 90613197 |
| Drug dependence | 61.21 | 57.01 | 32 | 5673 | 29295 | 90593447 |
| Delusion of parasitosis | 60.87 | 57.01 | 10 | 5695 | 123 | 90622619 |
| Accidental overdose | 59.44 | 57.01 | 31 | 5674 | 28242 | 90594500 |
| 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 |
|---|---|---|---|---|---|---|
| Drug abuse | 9242.73 | 56.58 | 2448 | 7265 | 102323 | 42509299 |
| Toxicity to various agents | 3228.59 | 56.58 | 1363 | 8350 | 227773 | 42383849 |
| Completed suicide | 447.65 | 56.58 | 276 | 9437 | 96189 | 42515433 |
| Respiratory arrest | 406.52 | 56.58 | 174 | 9539 | 28250 | 42583372 |
| Cardio-respiratory arrest | 282.13 | 56.58 | 172 | 9541 | 58464 | 42553158 |
| Overdose | 262.67 | 56.58 | 206 | 9507 | 105058 | 42506564 |
| Prescription drug used without a prescription | 252.06 | 56.58 | 68 | 9645 | 2662 | 42608960 |
| Cardiac arrest | 247.30 | 56.58 | 202 | 9511 | 109118 | 42502504 |
| Exposure to toxic agent | 191.08 | 56.58 | 63 | 9650 | 4941 | 42606681 |
| Death | 189.96 | 56.58 | 363 | 9350 | 470822 | 42140800 |
| Substance use disorder | 152.11 | 56.58 | 54 | 9659 | 5291 | 42606331 |
| Substance abuse | 148.80 | 56.58 | 61 | 9652 | 8844 | 42602778 |
| Intentional product misuse | 120.30 | 56.58 | 105 | 9608 | 61795 | 42549827 |
| Substance use | 117.59 | 56.58 | 34 | 9679 | 1717 | 42609905 |
| Incorrect route of product administration | 110.79 | 56.58 | 69 | 9644 | 24236 | 42587386 |
| Amphetamines positive | 89.15 | 56.58 | 18 | 9695 | 188 | 42611434 |
| Drug use disorder | 84.34 | 56.58 | 43 | 9670 | 10290 | 42601332 |
| Serotonin syndrome | 80.69 | 56.58 | 58 | 9655 | 25787 | 42585835 |
| Fatigue | 79.80 | 56.58 | 5 | 9708 | 435636 | 42175986 |
| Drug screen positive | 78.31 | 56.58 | 31 | 9682 | 4100 | 42607522 |
| Miosis | 76.38 | 56.58 | 44 | 9669 | 13402 | 42598220 |
| Respiratory depression | 74.63 | 56.58 | 49 | 9664 | 18819 | 42592803 |
| Brain oedema | 70.98 | 56.58 | 45 | 9668 | 16282 | 42595340 |
| Pulmonary oedema | 68.50 | 56.58 | 72 | 9641 | 53200 | 42558422 |
| Accidental overdose | 67.27 | 56.58 | 54 | 9659 | 28276 | 42583346 |
| Opiates positive | 66.70 | 56.58 | 17 | 9696 | 530 | 42611092 |
| Drug dependence | 66.00 | 56.58 | 54 | 9659 | 29040 | 42582582 |
| Pyrexia | 62.80 | 56.58 | 8 | 9705 | 394034 | 42217588 |
| Accident | 61.76 | 56.58 | 30 | 9683 | 6473 | 42605149 |
| Diarrhoea | 59.33 | 56.58 | 16 | 9697 | 460833 | 42150789 |
| Suspected suicide | 57.08 | 56.58 | 28 | 9685 | 6171 | 42605451 |
| Postmortem blood drug level | 56.81 | 56.58 | 12 | 9701 | 159 | 42611463 |
| 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 |
|---|---|---|---|---|---|---|
| Drug abuse | 14623.81 | 46.66 | 3532 | 11232 | 173879 | 110400656 |
| Toxicity to various agents | 5274.62 | 46.66 | 2055 | 12709 | 478500 | 110096035 |
| Completed suicide | 1119.12 | 46.66 | 574 | 14190 | 241807 | 110332728 |
| Respiratory arrest | 733.50 | 46.66 | 280 | 14484 | 58019 | 110516516 |
| Cardio-respiratory arrest | 610.79 | 46.66 | 301 | 14463 | 115535 | 110459000 |
| Cardiac arrest | 568.00 | 46.66 | 343 | 14421 | 196410 | 110378125 |
| Death | 504.70 | 46.66 | 538 | 14226 | 698331 | 109876204 |
| Overdose | 372.07 | 46.66 | 282 | 14482 | 233512 | 110341023 |
| Prescription drug used without a prescription | 368.07 | 46.66 | 95 | 14669 | 5401 | 110569134 |
| Substance use disorder | 296.14 | 46.66 | 85 | 14679 | 7205 | 110567330 |
| Substance abuse | 263.12 | 46.66 | 88 | 14676 | 12375 | 110562160 |
| Exposure to toxic agent | 260.43 | 46.66 | 88 | 14676 | 12770 | 110561765 |
| Substance use | 195.77 | 46.66 | 49 | 14715 | 2457 | 110572078 |
| Intentional product misuse | 186.39 | 46.66 | 149 | 14615 | 132755 | 110441780 |
| Amphetamines positive | 174.96 | 46.66 | 31 | 14733 | 272 | 110574263 |
| Accidental overdose | 163.66 | 46.66 | 96 | 14668 | 51738 | 110522797 |
| Drug screen positive | 158.41 | 46.66 | 51 | 14713 | 6359 | 110568176 |
| Drug use disorder | 158.25 | 46.66 | 67 | 14697 | 18007 | 110556528 |
| Opiates positive | 151.07 | 46.66 | 33 | 14731 | 906 | 110573629 |
| Respiratory depression | 147.22 | 46.66 | 76 | 14688 | 31925 | 110542610 |
| Incorrect route of product administration | 135.34 | 46.66 | 92 | 14672 | 63969 | 110510566 |
| Fatigue | 117.27 | 46.66 | 13 | 14751 | 1215945 | 109358590 |
| Suspected suicide | 109.13 | 46.66 | 49 | 14715 | 15150 | 110559385 |
| Substance-induced psychotic disorder | 105.39 | 46.66 | 36 | 14728 | 5388 | 110569147 |
| Miosis | 103.38 | 46.66 | 53 | 14711 | 21930 | 110552605 |
| Pulmonary oedema | 98.63 | 46.66 | 92 | 14672 | 100567 | 110473968 |
| Diarrhoea | 98.50 | 46.66 | 17 | 14747 | 1139488 | 109435047 |
| Serotonin syndrome | 92.96 | 46.66 | 71 | 14693 | 59082 | 110515453 |
| Accidental poisoning | 87.73 | 46.66 | 26 | 14738 | 2461 | 110572074 |
| Accident | 87.30 | 46.66 | 38 | 14726 | 10914 | 110563621 |
| Drug dependence | 85.18 | 46.66 | 63 | 14701 | 49957 | 110524578 |
| Postmortem blood drug level | 84.82 | 46.66 | 17 | 14747 | 303 | 110574232 |
| Pulmonary congestion | 83.88 | 46.66 | 52 | 14712 | 30914 | 110543621 |
| Rash | 83.70 | 46.66 | 7 | 14757 | 820957 | 109753578 |
| Nausea | 76.28 | 46.66 | 35 | 14729 | 1235655 | 109338880 |
| Pyrexia | 76.23 | 46.66 | 14 | 14750 | 898251 | 109676284 |
| Drug ineffective | 71.80 | 46.66 | 59 | 14705 | 1520481 | 109054054 |
| Unresponsive to stimuli | 71.69 | 46.66 | 63 | 14701 | 63727 | 110510808 |
| Delusion of parasitosis | 69.67 | 46.66 | 14 | 14750 | 253 | 110574282 |
| Pain | 69.00 | 46.66 | 21 | 14743 | 954934 | 109619601 |
| Brain oedema | 68.85 | 46.66 | 46 | 14718 | 31052 | 110543483 |
| Dyspnoea | 68.82 | 46.66 | 31 | 14733 | 1106841 | 109467694 |
| Intentional overdose | 66.27 | 46.66 | 85 | 14679 | 132416 | 110442119 |
| Off label use | 65.06 | 46.66 | 63 | 14701 | 1500122 | 109074413 |
| Drug withdrawal syndrome | 64.94 | 46.66 | 48 | 14716 | 38006 | 110536529 |
| Arthralgia | 62.27 | 46.66 | 14 | 14750 | 779618 | 109794917 |
| Drug interaction | 59.81 | 46.66 | 174 | 14590 | 500009 | 110074526 |
| Coma | 59.54 | 46.66 | 76 | 14688 | 117793 | 110456742 |
| Poisoning | 59.54 | 46.66 | 41 | 14723 | 29064 | 110545471 |
| Pruritus | 59.11 | 46.66 | 5 | 14759 | 581555 | 109992980 |
| Accidental death | 59.06 | 46.66 | 23 | 14741 | 4986 | 110569549 |
| Asthenia | 57.85 | 46.66 | 11 | 14753 | 688988 | 109885547 |
| Postmortem blood drug level abnormal | 57.48 | 46.66 | 14 | 14750 | 626 | 110573909 |
| Anaemia | 52.20 | 46.66 | 6 | 14758 | 547080 | 110027455 |
| Headache | 48.42 | 46.66 | 29 | 14735 | 882348 | 109692187 |
| Joint swelling | 47.29 | 46.66 | 3 | 14761 | 442842 | 110131693 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N06BA03 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Centrally acting sympathomimetics |
| FDA CS | M0001015 | Amphetamines |
| FDA PE | N0000175372 | Appetite Suppression |
| FDA EPC | N0000175425 | Amphetamine Anorectic |
| MeSH PA | D000697 | Central Nervous System Stimulants |
| MeSH PA | D013566 | Sympathomimetics |
| MeSH PA | D014179 | Neurotransmitter Uptake Inhibitors |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018759 | Adrenergic Uptake Inhibitors |
| MeSH PA | D018765 | Dopamine Uptake Inhibitors |
| MeSH PA | D049990 | Membrane Transport Modulators |
| CHEBI has role | CHEBI:35337 | central nervous system stimulant |
| CHEBI has role | CHEBI:35471 | psychotropic drug |
| CHEBI has role | CHEBI:35703 | xenobiotic |
| CHEBI has role | CHEBI:50910 | neurotoxin |
| CHEBI has role | CHEBI:78298 | environmental contaminant |
| FDA PE | N0000175651 | Increased Sympathetic Activity |
| FDA PE | N0000175729 | Central Nervous System Stimulation |
| FDA EPC | N0000175739 | Central Nervous System Stimulant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Attention deficit hyperactivity disorder | indication | 406506008 | |
| Obesity | indication | 414916001 | DOID:9970 |
| Gilles de la Tourette's syndrome | contraindication | 5158005 | DOID:11119 |
| Suicidal thoughts | contraindication | 6471006 | |
| Dependent drug abuse | contraindication | 6525002 | |
| Alcoholism | contraindication | 7200002 | |
| Hyperammonemia | contraindication | 9360008 | |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Bipolar disorder | contraindication | 13746004 | DOID:3312 |
| Hepatic encephalopathy | contraindication | 13920009 | DOID:13413 |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Glaucoma | contraindication | 23986001 | DOID:1686 |
| Feeling agitated | contraindication | 24199005 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Depressive disorder | contraindication | 35489007 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Hyperactive behavior | contraindication | 44548000 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Chronic heart failure | contraindication | 48447003 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Anorexia nervosa | contraindication | 56882008 | DOID:8689 |
| Hepatic failure | contraindication | 59927004 | |
| Aggressive behavior | contraindication | 61372001 | |
| Substance abuse | contraindication | 66214007 | |
| Psychotic disorder | contraindication | 69322001 | |
| Arteriosclerotic vascular disease | contraindication | 72092001 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Sleep apnea | contraindication | 73430006 | DOID:0050847 |
| Cardiomyopathy | contraindication | 85898001 | DOID:0050700 |
| Weight loss | contraindication | 89362005 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Structural disorder of heart | contraindication | 128599005 | |
| Seizure disorder | contraindication | 128613002 | |
| Motor tic disorder | contraindication | 230337001 | |
| Cerebrovascular accident | contraindication | 230690007 | |
| Mania | contraindication | 231494001 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Sleep automatism | contraindication | 247962006 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Pregnancy, function | contraindication | 289908002 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Cardiovascular event risk | contraindication | 395112001 | |
| Visual impairment | contraindication | 397540003 | |
| Respiratory insufficiency | contraindication | 409623005 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Porphyria | contraindication | 418470004 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Acute exacerbation of asthma | contraindication | 708038006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.73 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Transporter | INHIBITOR | Ki | 7.61 | PDSP | CHEMBL | |||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 5.08 | CHEMBL | |||||
| Sodium-dependent serotonin transporter | Transporter | INHIBITOR | Ki | 6.13 | PDSP | ||||
| Sodium-dependent noradrenaline transporter | Transporter | INHIBITOR | Ki | 7.91 | PDSP | ||||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 5 | PDSP | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.13 | PDSP | |||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 6.09 | PDSP | |||||
| Trace amine-associated receptor 1 | GPCR | AGONIST | EC50 | 5.89 | CHEMBL | ||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 5.38 | PDSP | |||||
| Synaptic vesicular amine transporter | Transporter | Ki | 5.61 | CHEMBL | |||||
| Trace amine-associated receptor 1 | GPCR | EC50 | 5.28 | CHEMBL | |||||
| Trace amine-associated receptor 1 | GPCR | EC50 | 6.88 | CHEMBL | |||||
| Trace amine-associated receptor 1 | GPCR | EC50 | 7.15 | CHEMBL |
| ID | Source |
|---|---|
| 4019821 | VUID |
| N0000147910 | NUI |
| D02242 | KEGG_DRUG |
| 51-57-0 | SECONDARY_CAS_RN |
| 4018483 | VANDF |
| 4019821 | VANDF |
| C0025611 | UMLSCUI |
| CHEBI:6809 | CHEBI |
| B40 | PDB_CHEM_ID |
| CHEMBL1201201 | ChEMBL_ID |
| DB01577 | DRUGBANK_ID |
| CHEMBL1200952 | ChEMBL_ID |
| D008694 | MESH_DESCRIPTOR_UI |
| 10836 | PUBCHEM_CID |
| 1879 | INN_ID |
| 4803 | IUPHAR_LIGAND_ID |
| 44RAL3456C | UNII |
| 6816 | RXNORM |
| 1988 | MMSL |
| 5066 | MMSL |
| d00805 | MMSL |
| 001797 | NDDF |
| 004722 | NDDF |
| 387329009 | SNOMEDCT_US |
| 387499002 | SNOMEDCT_US |
| 8692006 | SNOMEDCT_US |
| 44RAL3456C | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Methamphetamine Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0054-0389 | TABLET | 5 mg | ORAL | ANDA | 31 sections |
| Methamphetamine Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68308-115 | TABLET | 5 mg | ORAL | ANDA | 29 sections |
| Methamphetamine Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 75907-094 | TABLET | 5 mg | ORAL | ANDA | 22 sections |