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

penbutolol 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
beta-adrenoreceptor antagonists	2078	38363-40-5

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: penbutolol penbutolol sulfate betapressin levopenbutolol	A nonselective beta-blocker used as an antihypertensive and an antianginal agent. Molecular weight: 291.44 Formula: C18H29NO2 CLOGP: 4.04 LIPINSKI: 0 HAC: 3 HDO: 2 TPSA: 41.49 ALOGS: -4.14 ROTB: 7 Status: OFM Legend: OFP - off patent OFM - off market ONP - on patent

Drug dosage:

Dose	Unit	Route
40	mg	O

ADMET properties:

Property	Value	Reference
MRTD (Maximum Recommended Therapeutic Daily Dose)	3.92 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)	93 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
S (Water solubility)	7 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	2.404		High	1
caco2-efflux	Caco-2 efflux ratio (BA/AB)	2.173		High	1
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	14.256	10^-6 cm/s	High	1
dh-clint	Dog hepatocyte intrinsic clearance	26.182	uL/min/10^6 cells	High	1
dppb	Dog plasma protein binding (% unbound)	3.530	%	High	1
fcs-ppb	Fetal calf serum protein binding (% unbound)	11.810	%	High	1
herg	hERG pIC50	5.222	pIC50	High	1
hh-clint	Human hepatocyte intrinsic clearance	12.794	uL/min/10^6 cells	High	1
hlm-clint	Human liver microsomal intrinsic clearance	19.588	uL/min/mg protein	High	1
hppb	Human plasma protein binding (% unbound)	4.070	%	High	1
kinase-safety-class	ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,IKBKB,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1	44
kinase-selectivity-class	AXL,PDK4	2
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	1.183		High	1
mh-clint	Mouse hepatocyte intrinsic clearance	120.226		High	1
mppb	Mouse plasma protein binding (% unbound)	5.590		High	1
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	6.745		High	1
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	14.570	%	High	1
rh-clint	Rat hepatocyte intrinsic clearance	207.014	uL/min/10^6 cells	High	1
rh-fuinc	Rat hepatocyte fraction unbound in incubation	24.450	%	High	1
rppb	Rat plasma protein binding (% unbound)	5.710	%	High	1
solubility-dd	Solubility at pH 7.4 in DMSO	712.853	uM	High	1

Approvals:

Date	Agency	Company	Orphan
Dec. 30, 1987	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	C07AA23	CARDIOVASCULAR SYSTEM BETA BLOCKING AGENTS BETA BLOCKING AGENTS Beta blocking agents, non-selective
ATC	C07CA23	CARDIOVASCULAR SYSTEM BETA BLOCKING AGENTS BETA BLOCKING AGENTS AND OTHER DIURETICS Beta blocking agents, non-selective, and other diuretics
FDA MoA	N0000000161	Adrenergic beta-Antagonists
FDA EPC	N0000175556	beta-Adrenergic Blocker
MeSH PA	D000319	Adrenergic beta-Antagonists
MeSH PA	D000959	Antihypertensive Agents
MeSH PA	D002317	Cardiovascular Agents
MeSH PA	D018377	Neurotransmitter Agents
MeSH PA	D018663	Adrenergic Agents
MeSH PA	D018674	Adrenergic Antagonists
CHEBI has role	CHEBI:35554	cardiovascular drug
CHEBI has role	CHEBI:35530	β-adrenergic antagonist

Related Drugs by ATC class:

C07AA Beta blocking agents, non-selective 13 drugs

alprenololbopindololbupranololcarteololcloranololmepindololnadololoxprenololpindololpropranololsotaloltertatolol show all 13 →

C07CA Beta blocking agents, non-selective, and other diuretics 3 drugs

bopindololoxprenololpindolol

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	off-label use	194828000
Bronchospasm	contraindication	4386001
Complete atrioventricular block	contraindication	27885002
Depressive disorder	contraindication	35489007
Anaphylaxis	contraindication	39579001
Sinus bradycardia	contraindication	49710005
Diabetes mellitus	contraindication	73211009	DOID:9351
Pulmonary emphysema	contraindication	87433001
Cardiogenic shock	contraindication	89138009
Kidney disease	contraindication	90708001	DOID:557
Myasthenia gravis	contraindication	91637004	DOID:437
Partial atrioventricular block	contraindication	195039008
Decompensated cardiac failure	contraindication	195111005
Disease of liver	contraindication	235856003	DOID:409
Raynaud's phenomenon	contraindication	266261006
Pregnancy, function	contraindication	289908002
Severe chronic obstructive pulmonary disease	contraindication	313299006
Right ventricular failure	contraindication	367363000

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	9.31	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	P08588	ADRB1_HUMAN	ANTAGONIST	Ki	8.80		WOMBAT-PK	CHEMBL
Beta-2 adrenergic receptor	GPCR	P07550	ADRB2_HUMAN	ANTAGONIST	Ki	9		WOMBAT-PK	CHEMBL
5-hydroxytryptamine receptor 1A	GPCR	P08908	5HT1A_HUMAN		Ki	7.92		WOMBAT-PK
Alpha-1-acid glycoprotein 1	Secreted	P02763	A1AG1_HUMAN					WOMBAT-PK
5-hydroxytryptamine receptor 1A	GPCR		5HT1A_RAT		Ki	8.62		CHEMBL

External reference:

ID	Source
4019879	VUID
N0000147964	NUI
D00602	KEGG_DRUG
38363-32-5	SECONDARY_CAS_RN
4019466	VANDF
4019879	VANDF
C0030812	UMLSCUI
CHEBI:7954	CHEBI
CHEMBL1290	ChEMBL_ID
DB01359	DRUGBANK_ID
CHEMBL2361370	ChEMBL_ID
D010394	MESH_DESCRIPTOR_UI
37464	PUBCHEM_CID
7263	IUPHAR_LIGAND_ID
3017	INN_ID
78W62V43DY	UNII
7973	RXNORM
5241	MMSL
d00332	MMSL
001862	NDDF
004746	NDDF
108542009	SNOMEDCT_US
372505004	SNOMEDCT_US
386865000	SNOMEDCT_US
78W62V43DY	INXIGHT DRUGS

Pharmaceutical products:

None