Stem definition | Drug id | CAS RN |
---|---|---|
aromatic ring -CH(-OH)-CH2-NH-R | 1658 | 56290-94-9 |
None
Property | Value | Reference |
---|---|---|
BA (Bioavailability) | 38 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 7.90 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 16 mL/min/kg | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 11 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
None
None
Source | Code | Description |
---|---|---|
MeSH PA | D018663 | Adrenergic Agents |
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 |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.81 | acidic |
pKa2 | 12.65 | acidic |
pKa3 | 8.23 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Beta-1 adrenergic receptor | GPCR | pA2 | 7.82 | WOMBAT-PK | |||||
Alpha-1A adrenergic receptor | GPCR | pA2 | 6.08 | WOMBAT-PK |
ID | Source |
---|---|
D04888 | KEGG_DRUG |
C0065863 | UMLSCUI |
CHEBI:135571 | CHEBI |
CHEMBL1203104 | ChEMBL_ID |
CHEMBL113278 | ChEMBL_ID |
C024892 | MESH_SUPPLEMENTAL_RECORD_UI |
41835 | PUBCHEM_CID |
4784 | INN_ID |
70161-10-3 | SECONDARY_CAS_RN |
7PX96289JA | UNII |
None