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mibefradil 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| calcium channel blockers acting as vasodilators | 1797 | 116644-53-2 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.
|
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 75 | mg | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 2.88 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 75 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 3.10 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 4 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.01 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 13 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 28.43 mg/mL | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.030 | Moderate | 0.73 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 11.535 | Moderate | 0.73 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 4.539 | 10^-6 cm/s | Moderate | 0.73 |
| dh-clint | Dog hepatocyte intrinsic clearance | 25.645 | uL/min/10^6 cells | Moderate | 0.73 |
| dppb | Dog plasma protein binding (% unbound) | 0.900 | % | Moderate | 0.73 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 1.480 | % | Moderate | 0.73 |
| herg | hERG pIC50 | 6.153 | pIC50 | Moderate | 0.73 |
| hh-clint | Human hepatocyte intrinsic clearance | 46.345 | uL/min/10^6 cells | Moderate | 0.73 |
| hlm-clint | Human liver microsomal intrinsic clearance | 228.034 | uL/min/mg protein | Moderate | 0.73 |
| hppb | Human plasma protein binding (% unbound) | 0.420 | % | Moderate | 0.73 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 18.450 | Moderate | 0.73 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 223.872 | Moderate | 0.73 | |
| mppb | Mouse plasma protein binding (% unbound) | 1.290 | Moderate | 0.73 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 43.152 | Moderate | 0.73 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 5.670 | % | Moderate | 0.73 |
| rh-clint | Rat hepatocyte intrinsic clearance | 187.932 | uL/min/10^6 cells | Moderate | 0.73 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 5.830 | % | Moderate | 0.73 |
| rppb | Rat plasma protein binding (% unbound) | 1.230 | % | Moderate | 0.73 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 53.951 | uM | Moderate | 0.73 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Aug. 1, 1997 | FDA |
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 |
|---|---|---|
| ATC | C08CX01 | CARDIOVASCULAR SYSTEM CALCIUM CHANNEL BLOCKERS SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS Other selective calcium channel blockers with mainly vascular effects |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:194338 | T-type calcium channel blocker |
| MeSH PA | D000077264 | Calcium-Regulating Hormones and Agents |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002121 | Calcium Channel Blockers |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D014665 | Vasodilator Agents |
| MeSH PA | D049990 | Membrane Transport Modulators |
| MeSH PA | D065607 | Cytochrome P-450 Enzyme Inhibitors |
| MeSH PA | D065609 | Cytochrome P-450 CYP1A2 Inhibitors |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
| Angina pectoris | indication | 194828000 | |
| Complete atrioventricular block | contraindication | 27885002 | |
| Sick sinus syndrome | contraindication | 36083008 | DOID:13884 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Atrioventricular Conduction Defect | contraindication |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.13 | acidic |
| pKa2 | 9.13 | Basic |
| pKa3 | 5.62 | 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 |
|---|---|---|---|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H | Ion channel | BLOCKER | IC50 | 6.60 | WOMBAT-PK | SCIENTIFIC LITERATURE | |||
| Sodium channel protein type 5 subunit alpha | Ion channel | IC50 | 6.30 | CHEMBL | |||||
| Potassium voltage-gated channel subfamily H member 2 | Ion channel | Ki | 6.72 | CHEMBL | |||||
| Cytochrome P450 3A4 | Enzyme | Ki | 6.22 | WOMBAT-PK | |||||
| Multidrug resistance protein 1 | Transporter | IC50 | 5.80 | WOMBAT-PK | |||||
| Sodium channel protein type 9 subunit alpha | Ion channel | IC50 | 6.30 | CHEMBL | |||||
| Cytochrome P450 2D6 | Enzyme | IC50 | 6.14 | CHEMBL | |||||
| Voltage-dependent L-type calcium channel subunit alpha-1C | Ion channel | BLOCKER | IC50 | 4.90 | IUPHAR | ||||
| Voltage-dependent T-type calcium channel subunit alpha-1G | Ion channel | IC50 | 6.70 | CHEMBL | |||||
| Voltage-dependent T-type calcium channel subunit alpha-1I | Ion channel | IC50 | 6.90 | CHEMBL | |||||
| Voltage-dependent N-type calcium channel subunit alpha-1B | Ion channel | IC50 | 5.87 | CHEMBL | |||||
| Cation channel sperm-associated protein 1 | Ion channel | BLOCKER | IC50 | 4.50 | IUPHAR | ||||
| Cation channel sperm-associated protein 2 | Ion channel | BLOCKER | IC50 | 4.50 | IUPHAR | ||||
| Cation channel sperm-associated protein 3 | Ion channel | BLOCKER | IC50 | 4.50 | IUPHAR | ||||
| Cation channel sperm-associated protein 4 | Ion channel | BLOCKER | IC50 | 4.50 | IUPHAR | ||||
| Calcium release-activated calcium channel protein 1 | Ion channel | IC50 | 4.28 | CHEMBL | |||||
| Potassium channel subfamily K member 9 | Ion channel | IC50 | 4.61 | CHEMBL | |||||
| Voltage-dependent P/Q-type calcium channel subunit alpha-1A | Ion channel | GATING INHIBITOR | IC50 | 6.50 | IUPHAR | ||||
| Sodium channel protein type 2 subunit alpha | Ion channel | IC50 | 6.30 | CHEMBL | |||||
| Voltage-dependent R-type calcium channel subunit alpha-1E | Ion channel | GATING INHIBITOR | IC50 | 6.40 | IUPHAR | ||||
| Sodium channel protein type 4 subunit alpha | Ion channel | IC50 | 6.30 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4024074 | VUID |
| N0000022079 | NUI |
| D05024 | KEGG_DRUG |
| 4021047 | VANDF |
| 4024074 | VANDF |
| C0286185 | UMLSCUI |
| CHEBI:6920 | CHEBI |
| MWV | PDB_CHEM_ID |
| CHEMBL45816 | ChEMBL_ID |
| CHEMBL1534525 | ChEMBL_ID |
| D020748 | MESH_DESCRIPTOR_UI |
| DB01388 | DRUGBANK_ID |
| 2522 | IUPHAR_LIGAND_ID |
| 7134 | INN_ID |
| 116666-63-8 | SECONDARY_CAS_RN |
| 27B90X776A | UNII |
| 60663 | PUBCHEM_CID |
| 54980 | RXNORM |
| 10198 | MMSL |
| 5111 | MMSL |
| d04139 | MMSL |
| 006710 | NDDF |
| 006711 | NDDF |
| 319318006 | SNOMEDCT_US |
| 421651006 | SNOMEDCT_US |
| 27B90X776A | INXIGHT DRUGS |
Pharmaceutical products:
None