Stem definition | Drug id | CAS RN |
---|---|---|
anorexics | 2133 | 134-49-6 |
None
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 0 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 2.50 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 19 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 6.04 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Date | Agency | Company | Orphan |
---|---|---|---|
None | FDA | BOEHRINGER INGELHEIM |
None
None
None
None
Source | Code | Description |
---|---|---|
MeSH PA | D019440 | Anti-Obesity Agents |
MeSH PA | D001067 | Appetite Depressants |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D000697 | Central Nervous System Stimulants |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D013566 | Sympathomimetics |
CHEBI has role | CHEBI:25212 | metabolites |
CHEBI has role | CHEBI:35524 | sympathomimetic |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Obesity | indication | 414916001 | DOID:9970 |
Heart valve disorder | contraindication | 368009 | DOID:4079 |
Alcoholism | contraindication | 7200002 | |
Glaucoma | contraindication | 23986001 | DOID:1686 |
Feeling agitated | contraindication | 24199005 | |
Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
Diabetes mellitus type 2 | contraindication | 44054006 | DOID:9352 |
Conduction disorder of the heart | contraindication | 44808001 | |
Diabetes mellitus type 1 | contraindication | 46635009 | DOID:9744 |
Chronic heart failure | contraindication | 48447003 | |
Substance abuse | contraindication | 66214007 | |
Pulmonary hypertension | contraindication | 70995007 | DOID:6432 |
Arteriosclerotic vascular disease | contraindication | 72092001 | |
Epilepsy | contraindication | 84757009 | DOID:1826 |
Drug-induced psychosis | contraindication | 191483003 | DOID:1742 |
Breastfeeding (mother) | contraindication | 413712001 | |
Disorder of coronary artery | contraindication | 414024009 | |
Hypertensive urgency | contraindication | 443482000 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.81 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Sodium-dependent noradrenaline transporter | Transporter | INHIBITOR | EC50 | 7.30 | WOMBAT-PK | CHEMBL | |||
Sodium-dependent dopamine transporter | Transporter | INHIBITOR | EC50 | 6.88 | WOMBAT-PK | CHEMBL | |||
Amine oxidase [flavin-containing] A | Enzyme | WOMBAT-PK |
ID | Source |
---|---|
4019065 | VUID |
N0000179644 | NUI |
D05454 | KEGG_DRUG |
13931-75-4 | SECONDARY_CAS_RN |
13580-35-3 | SECONDARY_CAS_RN |
4019065 | VANDF |
4019889 | VANDF |
C0031411 | UMLSCUI |
CHEBI:8068 | CHEBI |
CHEMBL1201208 | ChEMBL_ID |
DB00830 | DRUGBANK_ID |
CHEMBL1200483 | ChEMBL_ID |
D010633 | MESH_DESCRIPTOR_UI |
4762 | PUBCHEM_CID |
553 | INN_ID |
XA501VL3VR | UNII |
203198 | RXNORM |
001868 | NDDF |
004774 | NDDF |
23532003 | SNOMEDCT_US |
387127002 | SNOMEDCT_US |
387462002 | SNOMEDCT_US |
1618-50-4 | SECONDARY_CAS_RN |
None