Stem definition | Drug id | CAS RN |
---|---|---|
aromatic ring -CH(-OH)-CH2-NH-R | 424 | 54340-62-4 |
Molecule | Description |
---|---|
Synonyms:
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None
Property | Value | Reference |
---|---|---|
BA (Bioavailability) | 46 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 1.70 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 8.90 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.19 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 2.30 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
None
None
Source | Code | Description |
---|---|---|
MeSH PA | D018663 | Adrenergic Agents |
MeSH PA | D018674 | Adrenergic Antagonists |
MeSH PA | D000319 | Adrenergic beta-Antagonists |
MeSH PA | D018377 | Neurotransmitter Agents |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.89 | 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 | 8.20 | WOMBAT-PK | |||||
Beta-2 adrenergic receptor | GPCR | Ki | 8.80 | WOMBAT-PK | |||||
Multidrug resistance protein 1 | Transporter | WOMBAT-PK | |||||||
Cytochrome P450 2D6 | Enzyme | Ks | 4.59 | WOMBAT-PK |
ID | Source |
---|---|
C0054212 | UMLSCUI |
CHEBI:34593 | CHEBI |
CHEMBL296035 | ChEMBL_ID |
CHEMBL251642 | ChEMBL_ID |
CHEMBL399261 | ChEMBL_ID |
DB06726 | DRUGBANK_ID |
C010831 | MESH_SUPPLEMENTAL_RECORD_UI |
71733 | PUBCHEM_CID |
9834 | IUPHAR_LIGAND_ID |
3539 | INN_ID |
891H89GFT4 | UNII |
None