All FDA-approved EMA-approved PMDA-approved
Target Card Uniprot Example: P23975

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
Molfile Inchi Smiles Synonyms: mibefradil mibefradil dihydrochloride posicor Ro 40-5967	A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE. Molecular weight: 495.64 Formula: C29H38FN3O3 CLOGP: 6.36 LIPINSKI: 1 HAC: 6 HDO: 1 TPSA: 67.45 ALOGS: -5.68 ROTB: 12

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
kinase-safety-class	ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAPK10,MET,NTRK2,PDK2,PDK4,PRKDC	18
kinase-selectivity-class	AXL	1
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	O95180	CAC1H_HUMAN	BLOCKER	IC50	6.60		WOMBAT-PK	SCIENTIFIC LITERATURE
Sodium channel protein type 5 subunit alpha	Ion channel	Q14524	SCN5A_HUMAN		IC50	6.30		CHEMBL
Potassium voltage-gated channel subfamily H member 2	Ion channel	Q12809	KCNH2_HUMAN		Ki	6.72		CHEMBL
Cytochrome P450 3A4	Enzyme	P08684	CP3A4_HUMAN		Ki	6.22		WOMBAT-PK
Multidrug resistance protein 1	Transporter	P08183	MDR1_HUMAN		IC50	5.80		WOMBAT-PK
Sodium channel protein type 9 subunit alpha	Ion channel	Q15858	SCN9A_HUMAN		IC50	6.30		CHEMBL
Cytochrome P450 2D6	Enzyme	P10635	CP2D6_HUMAN		IC50	6.14		CHEMBL
Voltage-dependent L-type calcium channel subunit alpha-1C	Ion channel	Q13936	CAC1C_HUMAN	BLOCKER	IC50	4.90		IUPHAR
Voltage-dependent T-type calcium channel subunit alpha-1G	Ion channel	O43497	CAC1G_HUMAN		IC50	6.70		CHEMBL
Voltage-dependent T-type calcium channel subunit alpha-1I	Ion channel	Q9P0X4	CAC1I_HUMAN		IC50	6.90		CHEMBL
Voltage-dependent N-type calcium channel subunit alpha-1B	Ion channel	Q00975	CAC1B_HUMAN		IC50	5.87		CHEMBL
Cation channel sperm-associated protein 1	Ion channel	Q8NEC5	CTSR1_HUMAN	BLOCKER	IC50	4.50		IUPHAR
Cation channel sperm-associated protein 2	Ion channel	Q96P56	CTSR2_HUMAN	BLOCKER	IC50	4.50		IUPHAR
Cation channel sperm-associated protein 3	Ion channel	Q86XQ3	CTSR3_HUMAN	BLOCKER	IC50	4.50		IUPHAR
Cation channel sperm-associated protein 4	Ion channel	Q7RTX7	CTSR4_HUMAN	BLOCKER	IC50	4.50		IUPHAR
Calcium release-activated calcium channel protein 1	Ion channel	Q96D31	CRCM1_HUMAN		IC50	4.28		CHEMBL
Potassium channel subfamily K member 9	Ion channel	Q9NPC2	KCNK9_HUMAN		IC50	4.61		CHEMBL
Voltage-dependent P/Q-type calcium channel subunit alpha-1A	Ion channel		CAC1A_RAT	GATING INHIBITOR	IC50	6.50		IUPHAR
Sodium channel protein type 2 subunit alpha	Ion channel		SCN2A_RAT		IC50	6.30		CHEMBL
Voltage-dependent R-type calcium channel subunit alpha-1E	Ion channel		CAC1E_RAT	GATING INHIBITOR	IC50	6.40		IUPHAR
Sodium channel protein type 4 subunit alpha	Ion channel		SCN4A_RAT		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