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bufuralol 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| aromatic ring -CH(-OH)-CH2-NH-R | 424 | 54340-62-4 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
Drug dosage:
None
ADMET properties:
| 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 |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.807 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.558 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 35.727 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 38.282 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 8.320 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 20.940 | % | High | 1 |
| herg | hERG pIC50 | 5.098 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 9.120 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 16.672 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 18.020 | % | High | 1 |
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.700 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.780 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 197.242 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 16.320 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.545 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 26.320 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.171 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 355.631 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 55.900 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 20.300 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 984.011 | uM | High | 1 |
Approvals:
None
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000319 | Adrenergic beta-Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018674 | Adrenergic Antagonists |
Drug Use | Suggest Off label Use Form| |View source of the data|
None
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.89 | Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| 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 |
External reference:
| ID | Source |
|---|---|
| C0054212 | UMLSCUI |
| CHEBI:34593 | CHEBI |
| CHEMBL296035 | ChEMBL_ID |
| DB06726 | DRUGBANK_ID |
| C010831 | MESH_SUPPLEMENTAL_RECORD_UI |
| 71733 | PUBCHEM_CID |
| 9834 | IUPHAR_LIGAND_ID |
| 3539 | INN_ID |
| 891H89GFT4 | UNII |
Pharmaceutical products:
None