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dilevalol 🐶 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 | 894 | 75659-07-3 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
Drug dosage:
None
ADMET properties:
| 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 µM/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 |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.206 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 7.447 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 6.808 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 8.222 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 35.520 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 45.350 | % | High | 1 |
| herg | hERG pIC50 | 4.919 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 7.780 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 24.491 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 40.230 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1 | 36 | |||
| kinase-selectivity-class | AXL,CDK4,EIF2AK3,EPHB4,GRK2,MAP2K6,SIK2,STK33,TEK | 9 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 5.212 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 8.790 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 92.897 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 40.500 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 17.947 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | High | 1 | |
| pppb | Pig plasma protein binding (% unbound) | 48.960 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.025 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 84.528 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 77.970 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 39.620 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 907.821 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1989 | YEAR INTRODUCED |
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 | D000317 | Adrenergic alpha-Antagonists |
| MeSH PA | D000319 | Adrenergic beta-Antagonists |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D013566 | Sympathomimetics |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018674 | Adrenergic Antagonists |
| MeSH PA | D058668 | Adrenergic alpha-1 Receptor 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 | 8.81 | acidic |
| pKa2 | 12.65 | acidic |
| pKa3 | 8.23 | 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 | 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 |
External reference:
| ID | Source |
|---|---|
| C0012368 | UMLSCUI |
| CHEBI:94471 | CHEBI |
| CHEMBL27193 | ChEMBL_ID |
| D007741 | MESH_DESCRIPTOR_UI |
| 134044 | PUBCHEM_CID |
| 5180 | INN_ID |
| P6629XE33T | UNII |
| 008145 | NDDF |
| P6629XE33T | INXIGHT DRUGS |
Pharmaceutical products:
None