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 | 3031.21 | 53.53 | 694 | 2409 | 59152 | 50542869 |
Toxicity to various agents | 1029.43 | 53.53 | 406 | 2697 | 212093 | 50389928 |
Completed suicide | 436.24 | 53.53 | 194 | 2909 | 131695 | 50470326 |
Cardio-respiratory arrest | 218.62 | 53.53 | 92 | 3011 | 53800 | 50548221 |
Respiratory arrest | 183.65 | 53.53 | 69 | 3034 | 29940 | 50572081 |
Cardiac arrest | 179.95 | 53.53 | 92 | 3011 | 83559 | 50518462 |
Death | 159.08 | 53.53 | 142 | 2961 | 325237 | 50276784 |
Overdose | 65.76 | 53.53 | 52 | 3051 | 99675 | 50502346 |
Amphetamines positive | 59.17 | 53.53 | 10 | 3093 | 152 | 50601869 |
Substance abuse | 59.08 | 53.53 | 18 | 3085 | 4106 | 50597915 |
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 | 4457.23 | 56.25 | 1239 | 4058 | 78644 | 29490586 |
Toxicity to various agents | 1689.73 | 56.25 | 741 | 4556 | 172920 | 29396310 |
Completed suicide | 307.30 | 56.25 | 194 | 5103 | 90052 | 29479178 |
Respiratory arrest | 263.53 | 56.25 | 116 | 5181 | 25717 | 29543513 |
Cardio-respiratory arrest | 234.79 | 56.25 | 133 | 5164 | 50468 | 29518762 |
Cardiac arrest | 179.80 | 56.25 | 137 | 5160 | 85454 | 29483776 |
Exposure to toxic agent | 143.60 | 56.25 | 41 | 5256 | 2534 | 29566696 |
Death | 131.54 | 56.25 | 225 | 5072 | 341859 | 29227371 |
Overdose | 117.44 | 56.25 | 104 | 5193 | 79715 | 29489515 |
Respiratory depression | 92.03 | 56.25 | 46 | 5251 | 13477 | 29555753 |
Pulmonary oedema | 86.34 | 56.25 | 67 | 5230 | 42668 | 29526562 |
Drug abuser | 84.13 | 56.25 | 30 | 5267 | 3797 | 29565433 |
Incorrect route of product administration | 83.23 | 56.25 | 40 | 5257 | 10761 | 29558469 |
Brain oedema | 75.65 | 56.25 | 39 | 5258 | 12181 | 29557049 |
Accidental overdose | 75.31 | 56.25 | 44 | 5253 | 17549 | 29551681 |
Intentional product misuse | 64.93 | 56.25 | 52 | 5245 | 34609 | 29534621 |
Substance abuse | 64.28 | 56.25 | 29 | 5268 | 6758 | 29562472 |
Pulmonary congestion | 60.99 | 56.25 | 34 | 5263 | 12402 | 29556828 |
Amphetamines positive | 60.72 | 56.25 | 12 | 5285 | 145 | 29569085 |
Drug screen positive | 58.69 | 56.25 | 23 | 5274 | 3778 | 29565452 |
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 | 7181.31 | 47.61 | 1870 | 6338 | 130504 | 64360020 |
Toxicity to various agents | 2713.47 | 47.61 | 1163 | 7045 | 362350 | 64128174 |
Completed suicide | 671.52 | 47.61 | 392 | 7816 | 224022 | 64266502 |
Cardio-respiratory arrest | 463.71 | 47.61 | 233 | 7975 | 98160 | 64392364 |
Respiratory arrest | 433.06 | 47.61 | 184 | 8024 | 52801 | 64437723 |
Cardiac arrest | 338.89 | 47.61 | 222 | 7986 | 153842 | 64336682 |
Death | 309.76 | 47.61 | 341 | 7867 | 482364 | 64008160 |
Overdose | 191.79 | 47.61 | 160 | 8048 | 159406 | 64331118 |
Exposure to toxic agent | 188.32 | 47.61 | 57 | 8151 | 6102 | 64484422 |
Respiratory depression | 157.31 | 47.61 | 71 | 8137 | 23372 | 64467152 |
Intentional product misuse | 145.91 | 47.61 | 99 | 8109 | 72196 | 64418328 |
Accidental overdose | 144.51 | 47.61 | 75 | 8133 | 33482 | 64457042 |
Pulmonary oedema | 115.85 | 47.61 | 89 | 8119 | 78585 | 64411939 |
Incorrect route of product administration | 105.84 | 47.61 | 54 | 8154 | 23244 | 64467280 |
Amphetamines positive | 103.20 | 47.61 | 19 | 8189 | 222 | 64490302 |
Drug abuser | 100.83 | 47.61 | 35 | 8173 | 5773 | 64484751 |
Substance abuse | 95.12 | 47.61 | 38 | 8170 | 9254 | 64481270 |
Drug screen positive | 86.03 | 47.61 | 31 | 8177 | 5698 | 64484826 |
Opiates positive | 83.44 | 47.61 | 20 | 8188 | 878 | 64489646 |
Pulmonary congestion | 79.43 | 47.61 | 45 | 8163 | 23835 | 64466689 |
Brain oedema | 66.49 | 47.61 | 39 | 8169 | 22036 | 64468488 |
Poisoning | 64.18 | 47.61 | 38 | 8170 | 21841 | 64468683 |
Fatigue | 63.19 | 47.61 | 10 | 8198 | 748720 | 63741804 |
Diarrhoea | 62.48 | 47.61 | 9 | 8199 | 722695 | 63767829 |
Drug ineffective | 59.16 | 47.61 | 17 | 8191 | 840230 | 63650294 |
Postmortem blood drug level | 52.66 | 47.61 | 11 | 8197 | 255 | 64490269 |
Accidental poisoning | 51.14 | 47.61 | 15 | 8193 | 1438 | 64489086 |
Pyrexia | 50.52 | 47.61 | 6 | 8202 | 558638 | 63931886 |
Drug interaction | 50.30 | 47.61 | 129 | 8079 | 361954 | 64128570 |
Nausea | 48.20 | 47.61 | 20 | 8188 | 785780 | 63704744 |
Accidental death | 47.96 | 47.61 | 18 | 8190 | 3707 | 64486817 |
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 |
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 |