Stem definition | Drug id | CAS RN |
---|---|---|
aromatic ring -CH(-OH)-CH2-NH-R | 894 | 75659-07-3 |
Molecule | Description |
---|---|
Synonyms:
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None
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 16 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 2.50 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 121.80 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 12 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 4.80 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 29 mL/min/kg | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 3.30 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1989 | YEAR INTRODUCED |
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None
Source | Code | Description |
---|---|---|
MeSH PA | D018663 | Adrenergic Agents |
MeSH PA | D058668 | Adrenergic alpha-1 Receptor Antagonists |
MeSH PA | D000317 | Adrenergic alpha-Antagonists |
MeSH PA | D018674 | Adrenergic Antagonists |
MeSH PA | D000319 | Adrenergic beta-Antagonists |
MeSH PA | D000959 | Antihypertensive Agents |
MeSH PA | D002317 | Cardiovascular Agents |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D013566 | Sympathomimetics |
None
None
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Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.81 | acidic |
pKa2 | 12.65 | acidic |
pKa3 | 8.23 | Basic |
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Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Beta-1 adrenergic receptor | GPCR | WOMBAT-PK | |||||||
Beta-2 adrenergic receptor | GPCR | WOMBAT-PK | |||||||
Alpha-1A adrenergic receptor | GPCR | WOMBAT-PK | |||||||
Alpha-1B adrenergic receptor | GPCR | WOMBAT-PK | |||||||
5-hydroxytryptamine receptor 1A | GPCR | Ki | 6.53 | CHEMBL |
ID | Source |
---|---|
C0012368 | UMLSCUI |
CHEBI:94471 | CHEBI |
CHEMBL27193 | ChEMBL_ID |
D007741 | MESH_DESCRIPTOR_UI |
134044 | PUBCHEM_CID |
5180 | INN_ID |
P6629XE33T | UNII |
008145 | NDDF |
None