| 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 |
| 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 | 3967.93 | 49.81 | 895 | 2998 | 71623 | 63413506 |
| Toxicity to various agents | 1298.40 | 49.81 | 501 | 3392 | 246749 | 63238380 |
| Completed suicide | 565.78 | 49.81 | 240 | 3653 | 145433 | 63339696 |
| Cardio-respiratory arrest | 255.35 | 49.81 | 106 | 3787 | 59853 | 63425276 |
| Respiratory arrest | 232.76 | 49.81 | 84 | 3809 | 32561 | 63452568 |
| Death | 231.72 | 49.81 | 187 | 3706 | 374194 | 63110935 |
| Cardiac arrest | 223.18 | 49.81 | 110 | 3783 | 92435 | 63392694 |
| Amphetamines positive | 91.53 | 49.81 | 15 | 3878 | 187 | 63484942 |
| Overdose | 91.32 | 49.81 | 67 | 3826 | 115011 | 63370118 |
| Substance abuse | 77.58 | 49.81 | 23 | 3870 | 4784 | 63480345 |
| Opiates positive | 75.41 | 49.81 | 14 | 3879 | 372 | 63484757 |
| Prescription drug used without a prescription | 54.63 | 49.81 | 15 | 3878 | 2371 | 63482758 |
| Exposure to toxic agent | 53.69 | 49.81 | 18 | 3875 | 5569 | 63479560 |
| Drug screen positive | 52.66 | 49.81 | 16 | 3877 | 3613 | 63481516 |
| Renal infarct | 51.94 | 49.81 | 13 | 3880 | 1434 | 63483695 |
| 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 | 6281.08 | 59.20 | 1722 | 5031 | 97374 | 34852804 |
| Toxicity to various agents | 1995.46 | 59.20 | 890 | 5863 | 199472 | 34750706 |
| Completed suicide | 336.28 | 59.20 | 218 | 6535 | 97950 | 34852228 |
| Respiratory arrest | 315.52 | 59.20 | 138 | 6615 | 27905 | 34922273 |
| Cardio-respiratory arrest | 266.52 | 59.20 | 153 | 6600 | 55120 | 34895058 |
| Cardiac arrest | 202.43 | 59.20 | 159 | 6594 | 96000 | 34854178 |
| Death | 190.46 | 59.20 | 301 | 6452 | 397748 | 34552430 |
| Exposure to toxic agent | 159.37 | 59.20 | 49 | 6704 | 3626 | 34946552 |
| Overdose | 138.57 | 59.20 | 125 | 6628 | 90934 | 34859244 |
| Prescription drug used without a prescription | 134.07 | 59.20 | 38 | 6715 | 2116 | 34948062 |
| Incorrect route of product administration | 116.49 | 59.20 | 57 | 6696 | 14788 | 34935390 |
| Intentional product misuse | 103.46 | 59.20 | 79 | 6674 | 45532 | 34904646 |
| Amphetamines positive | 90.86 | 59.20 | 18 | 6735 | 203 | 34949975 |
| Drug abuser | 88.36 | 59.20 | 32 | 6721 | 3922 | 34946256 |
| Pulmonary oedema | 87.83 | 59.20 | 73 | 6680 | 47456 | 34902722 |
| Respiratory depression | 86.21 | 59.20 | 48 | 6705 | 16197 | 34933981 |
| Serotonin syndrome | 84.78 | 59.20 | 51 | 6702 | 19882 | 34930296 |
| Substance abuse | 83.77 | 59.20 | 37 | 6716 | 7604 | 34942574 |
| Brain oedema | 79.29 | 59.20 | 43 | 6710 | 13778 | 34936400 |
| Accidental overdose | 66.74 | 59.20 | 44 | 6709 | 20096 | 34930082 |
| Opiates positive | 63.49 | 59.20 | 16 | 6737 | 565 | 34949613 |
| 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 | 9985.09 | 52.25 | 2539 | 7786 | 160152 | 79573911 |
| Toxicity to various agents | 3279.07 | 52.25 | 1397 | 8928 | 420143 | 79313920 |
| Completed suicide | 814.99 | 52.25 | 462 | 9863 | 245305 | 79488758 |
| Respiratory arrest | 537.82 | 52.25 | 221 | 10104 | 57329 | 79676734 |
| Cardio-respiratory arrest | 536.40 | 52.25 | 267 | 10058 | 108243 | 79625820 |
| Death | 465.29 | 52.25 | 460 | 9865 | 566054 | 79168009 |
| Cardiac arrest | 408.81 | 52.25 | 262 | 10063 | 171834 | 79562229 |
| Overdose | 233.68 | 52.25 | 192 | 10133 | 184014 | 79550049 |
| Exposure to toxic agent | 204.70 | 52.25 | 67 | 10258 | 9091 | 79724972 |
| Prescription drug used without a prescription | 187.24 | 52.25 | 52 | 10273 | 4033 | 79730030 |
| Intentional product misuse | 179.89 | 52.25 | 126 | 10199 | 95039 | 79639024 |
| Amphetamines positive | 159.14 | 52.25 | 29 | 10296 | 313 | 79733750 |
| Respiratory depression | 150.97 | 52.25 | 73 | 10252 | 27557 | 79706506 |
| Accidental overdose | 134.31 | 52.25 | 76 | 10249 | 39505 | 79694558 |
| Opiates positive | 133.42 | 52.25 | 30 | 10295 | 974 | 79733089 |
| Incorrect route of product administration | 132.01 | 52.25 | 72 | 10253 | 34857 | 79699206 |
| Pulmonary oedema | 117.97 | 52.25 | 95 | 10230 | 88159 | 79645904 |
| Substance abuse | 106.87 | 52.25 | 43 | 10282 | 10483 | 79723580 |
| Drug abuser | 106.71 | 52.25 | 37 | 10288 | 5976 | 79728087 |
| Drug screen positive | 91.21 | 52.25 | 33 | 10292 | 6030 | 79728033 |
| Serotonin syndrome | 90.56 | 52.25 | 62 | 10263 | 44965 | 79689098 |
| Fatigue | 83.64 | 52.25 | 11 | 10314 | 929716 | 78804347 |
| Diarrhoea | 80.19 | 52.25 | 10 | 10315 | 880479 | 78853584 |
| Pulmonary congestion | 75.97 | 52.25 | 46 | 10279 | 27054 | 79707009 |
| Brain oedema | 71.12 | 52.25 | 43 | 10282 | 25220 | 79708843 |
| Postmortem blood drug level | 66.40 | 52.25 | 14 | 10311 | 334 | 79733729 |
| Drug ineffective | 65.91 | 52.25 | 29 | 10296 | 1080884 | 78653179 |
| Poisoning | 60.98 | 52.25 | 39 | 10286 | 25233 | 79708830 |
| Nausea | 59.39 | 52.25 | 25 | 10300 | 957171 | 78776892 |
| Intentional overdose | 56.32 | 52.25 | 69 | 10256 | 105891 | 79628172 |
| Dyspnoea | 55.40 | 52.25 | 21 | 10304 | 857004 | 78877059 |
| Rash | 53.97 | 52.25 | 6 | 10319 | 578352 | 79155711 |
| Accidental poisoning | 53.22 | 52.25 | 16 | 10309 | 1641 | 79732422 |
| Arthralgia | 53.18 | 52.25 | 6 | 10319 | 571797 | 79162266 |
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 | D018663 | Adrenergic Agents |
| MeSH PA | D018759 | Adrenergic Uptake Inhibitors |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D000697 | Central Nervous System Stimulants |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018765 | Dopamine Uptake Inhibitors |
| MeSH PA | D049990 | Membrane Transport Modulators |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D014179 | Neurotransmitter Uptake Inhibitors |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D013566 | Sympathomimetics |
| CHEBI has role | CHEBI:35337 | analeptic |
| CHEBI has role | CHEBI:35471 | psychotropic drugs |
| CHEBI has role | CHEBI:35703 | Xenobiotic |
| CHEBI has role | CHEBI:50910 | agente neurotoxico |
| CHEBI has role | CHEBI:78298 | environmental contaminants |
| 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 |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Methamphetamine Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0054-0389 | TABLET | 5 mg | ORAL | ANDA | 25 sections |
| Methamphetamine Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0054-0389 | TABLET | 5 mg | ORAL | ANDA | 25 sections |
| Desoxyn | HUMAN PRESCRIPTION DRUG LABEL | 1 | 55292-102 | TABLET | 5 mg | ORAL | NDA | 25 sections |
| Desoxyn | HUMAN PRESCRIPTION DRUG LABEL | 1 | 55292-104 | TABLET | 5 mg | ORAL | NDA | 25 sections |
| Methamphetamine Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68308-115 | TABLET | 5 mg | ORAL | ANDA | 29 sections |
| Methamphetamine Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68308-115 | TABLET | 5 mg | ORAL | ANDA | 29 sections |
| Methamphetamine Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68308-115 | TABLET | 5 mg | ORAL | ANDA | 29 sections |
| Desoxyn | HUMAN PRESCRIPTION DRUG LABEL | 1 | 70868-820 | TABLET | 5 mg | ORAL | NDA | 21 sections |