Stem definition | Drug id | CAS RN |
---|---|---|
anorexics | 832 | 3239-44-9 |
Dose | Unit | Route |
---|---|---|
30 | mg | O |
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.85 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
BA (Bioavailability) | 89 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 11 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 11 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.66 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 14 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 26.77 mg/mL | Bocci G, Oprea TI, Benet LZ |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1970 | YEAR INTRODUCED |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | A08AA04 | ALIMENTARY TRACT AND METABOLISM ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS Centrally acting antiobesity products |
CHEBI has role | CHEBI:35941 | serotonin agonists |
CHEBI has role | CHEBI:50949 | SSRI |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D018490 | Serotonin Agents |
MeSH PA | D017366 | Serotonin Receptor Agonists |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Obesity | indication | 414916001 | DOID:9970 |
Alcoholism | contraindication | 7200002 | |
Glaucoma | contraindication | 23986001 | DOID:1686 |
Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
Diabetes mellitus type 2 | contraindication | 44054006 | DOID:9352 |
Diabetes mellitus type 1 | contraindication | 46635009 | DOID:9744 |
Pulmonary hypertension | contraindication | 70995007 | DOID:6432 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 9.22 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Beta-1 adrenergic receptor | GPCR | Ki | 6.00 | PDSP | |||||
Alpha-2A adrenergic receptor | GPCR | Ki | 6.28 | PDSP | |||||
Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 6.66 | DRUG MATRIX | |||||
Sodium-dependent serotonin transporter | Transporter | Ki | 6.18 | PDSP | |||||
5-hydroxytryptamine receptor 1A | GPCR | Ki | 6.08 | PDSP | |||||
5-hydroxytryptamine receptor 2A | GPCR | Ki | 5.61 | PDSP | |||||
5-hydroxytryptamine receptor 2B | GPCR | Ki | 5.38 | WOMBAT-PK | |||||
5-hydroxytryptamine receptor 2C | GPCR | Ki | 5.79 | PDSP | |||||
5-hydroxytryptamine receptor 6 | GPCR | Ki | 5.04 | PDSP | |||||
5-hydroxytryptamine receptor 7 | GPCR | Ki | 5.26 | PDSP | |||||
Alpha-1A adrenergic receptor | GPCR | Ki | 6.57 | WOMBAT-PK | |||||
Alpha-2B adrenergic receptor | GPCR | Ki | 6.62 | PDSP | |||||
Muscarinic acetylcholine receptor M1 | GPCR | Ki | 5.73 | PDSP | |||||
Muscarinic acetylcholine receptor M2 | GPCR | Ki | 5.58 | PDSP | |||||
Muscarinic acetylcholine receptor M3 | GPCR | Ki | 5.33 | PDSP | |||||
Muscarinic acetylcholine receptor M4 | GPCR | Ki | 5.16 | PDSP | |||||
5-hydroxytryptamine receptor 1B | GPCR | Ki | 5.72 | PDSP | |||||
5-hydroxytryptamine receptor 1D | GPCR | Ki | 5.90 | PDSP | |||||
Alpha-2C adrenergic receptor | GPCR | Ki | 6.71 | PDSP | |||||
Alpha-1B adrenergic receptor | GPCR | Ki | 6.85 | PDSP | |||||
5-hydroxytryptamine receptor 1A | GPCR | IC50 | 5.47 | CHEMBL |
ID | Source |
---|---|
4024029 | VUID |
N0000022034 | NUI |
D03713 | KEGG_DRUG |
155142 | RXNORM |
4020972 | VANDF |
4024029 | VANDF |
C0011786 | UMLSCUI |
CHEBI:439329 | CHEBI |
CHEMBL248702 | ChEMBL_ID |
DB01191 | DRUGBANK_ID |
D020372 | MESH_DESCRIPTOR_UI |
66265 | PUBCHEM_CID |
5818 | INN_ID |
3239-45-0 | SECONDARY_CAS_RN |
E35R3G56OV | UNII |
DB00574 | DRUGBANK_ID |
4557 | MMSL |
d04006 | MMSL |
004127 | NDDF |
004128 | NDDF |
322047008 | SNOMEDCT_US |
412366002 | SNOMEDCT_US |
CHEMBL1887891 | ChEMBL_ID |
None