Stem definition | Drug id | CAS RN |
---|---|---|
2440 | 106650-56-0 |
Dose | Unit | Route |
---|---|---|
10 | mg | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 2.90 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 0 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.77 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Date | Agency | Company | Orphan |
---|---|---|---|
Nov. 22, 1997 | FDA |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | A08AA10 | ALIMENTARY TRACT AND METABOLISM ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS Centrally acting antiobesity products |
FDA MoA | N0000000102 | Norepinephrine Uptake Inhibitors |
FDA MoA | N0000000109 | Serotonin Uptake Inhibitors |
FDA MoA | N0000000114 | Dopamine Uptake Inhibitors |
FDA PE | N0000175372 | Appetite Suppression |
FDA EPC | N0000175424 | Norepinephrine, Serotonin, and Dopamine Reuptake Inhibitor Anorectic |
MeSH PA | D019440 | Anti-Obesity Agents |
MeSH PA | D000928 | Antidepressive Agents |
MeSH PA | D001067 | Appetite Depressants |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D011619 | Psychotropic Drugs |
CHEBI has role | CHEBI:50949 | SSRI |
CHEBI has role | CHEBI:74518 | anti-obestic agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Obesity | indication | 414916001 | DOID:9970 |
Tachyarrhythmia | contraindication | 6285003 | |
Neuroleptic malignant syndrome | contraindication | 15244003 | DOID:14464 |
Myocardial infarction | contraindication | 22298006 | DOID:5844 |
Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
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 |
Acute nephropathy | contraindication | 58574008 | |
Hepatic failure | contraindication | 59927004 | |
Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
Bulimia nervosa | contraindication | 78004001 | |
Chronic renal failure syndrome | contraindication | 90688005 | |
Kidney disease | contraindication | 90708001 | DOID:557 |
Seizure disorder | contraindication | 128613002 | |
Angina pectoris | contraindication | 194828000 | |
Cerebrovascular accident | contraindication | 230690007 | |
Transient ischemic attack | contraindication | 266257000 | DOID:224 |
Serotonin syndrome | contraindication | 371089000 | |
Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
Cardiovascular event risk | contraindication | 395112001 | |
Peripheral arterial occlusive disease | contraindication | 399957001 | |
Breastfeeding (mother) | contraindication | 413712001 | |
Disorder of coronary artery | contraindication | 414024009 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 9.18 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Sodium-dependent serotonin transporter | Transporter | INHIBITOR | Ki | 6.53 | WOMBAT-PK | CHEMBL | |||
Sodium-dependent noradrenaline transporter | Transporter | INHIBITOR | Ki | 5.26 | WOMBAT-PK | CHEMBL | |||
Sodium-dependent dopamine transporter | Transporter | INHIBITOR | Ki | 6.03 | WOMBAT-PK | CHEMBL | |||
Alpha-2C adrenergic receptor | GPCR | WOMBAT-PK | |||||||
Potassium voltage-gated channel subfamily D member 3 | Ion channel | IC50 | 4.70 | WOMBAT-PK | |||||
Cytochrome P450 2B6 | Enzyme | INHIBITOR | IC50 | 5.79 | IUPHAR | ||||
Solute carrier family 22 member 2 | Transporter | IC50 | 4.54 | WOMBAT-PK | |||||
Alpha-2B adrenergic receptor | GPCR | Ki | 5.96 | DRUG MATRIX | |||||
Potassium voltage-gated channel subfamily D member 3 | Ion channel | BLOCKER | IC50 | 4.70 | IUPHAR |
ID | Source |
---|---|
4024106 | VUID |
N0000022111 | NUI |
D02571 | KEGG_DRUG |
125494-59-9 | SECONDARY_CAS_RN |
4021089 | VANDF |
4024106 | VANDF |
C0074493 | UMLSCUI |
CHEBI:9137 | CHEBI |
CHEMBL1419 | ChEMBL_ID |
DB01105 | DRUGBANK_ID |
CHEMBL3989830 | ChEMBL_ID |
CHEMBL1200765 | ChEMBL_ID |
C058254 | MESH_SUPPLEMENTAL_RECORD_UI |
5210 | PUBCHEM_CID |
2586 | IUPHAR_LIGAND_ID |
6124 | INN_ID |
84467-54-9 | SECONDARY_CAS_RN |
WV5EC51866 | UNII |
1294535 | RXNORM |
d04260 | MMSL |
007298 | NDDF |
108373009 | SNOMEDCT_US |
386838007 | SNOMEDCT_US |
783113003 | SNOMEDCT_US |
None