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

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

Stem definition	Drug id	CAS RN
neuromuscular blocking agents with rigid structure	2183	68399-58-6

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: pipecuronium pipecuronium bromide	A piperazinyl androstane derivative which is a non-depolarizing neuromuscular blocking agent (NEUROMUSCULAR NONDEPOLARIZING AGENTS). It is used as a muscle relaxant during ANESTHESIA and surgical procedures. Molecular weight: 602.90 Formula: C35H62N4O4 CLOGP: 0.63 LIPINSKI: 1 HAC: 8 HDO: 0 TPSA: 59.08 ALOGS: -6.85 ROTB: 6 Status: OFM Legend: OFP - off patent OFM - off market ONP - on patent

Drug dosage:

None

ADMET properties:

Property	Value	Reference
BDDCS (Biopharmaceutical Drug Disposition Classification System)	3	Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine)	39 %	Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose)	0.12 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
Vd (Volume of distribution)	0.35 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	3 mL/min/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.98 %	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	1.90 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	-1.077		Moderate	0.71
caco2-efflux	Caco-2 efflux ratio (BA/AB)	3.811		Moderate	0.71
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	0.604	10^-6 cm/s	Moderate	0.71
dh-clint	Dog hepatocyte intrinsic clearance	2.805	uL/min/10^6 cells	Moderate	0.71
dppb	Dog plasma protein binding (% unbound)	82.850	%	Moderate	0.71
fcs-ppb	Fetal calf serum protein binding (% unbound)	66.670	%	Moderate	0.71
herg	hERG pIC50	4.174	pIC50	Moderate	0.71
hh-clint	Human hepatocyte intrinsic clearance	1.854	uL/min/10^6 cells	Moderate	0.71
hlm-clint	Human liver microsomal intrinsic clearance	5.636	uL/min/mg protein	Moderate	0.71
hppb	Human plasma protein binding (% unbound)	79.440	%	Moderate	0.71
kinase-safety-class	ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK3,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK2,PDK4,PRKDC,TEK,TGFBR1,ZAP70	26
kinase-selectivity-class	AXL,EIF2AK3	2
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	0.708		Moderate	0.71
mh-clint	Mouse hepatocyte intrinsic clearance	33.266		Moderate	0.71
mppb	Mouse plasma protein binding (% unbound)	77.050		Moderate	0.71
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	0.644		Moderate	0.71
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	73.320	%	Moderate	0.71
rh-clint	Rat hepatocyte intrinsic clearance	50.816	uL/min/10^6 cells	Moderate	0.71
rh-fuinc	Rat hepatocyte fraction unbound in incubation	90.340	%	Moderate	0.71
rppb	Rat plasma protein binding (% unbound)	75.380	%	Moderate	0.71
solubility-dd	Solubility at pH 7.4 in DMSO	916.220	uM	Moderate	0.71

Approvals:

Date	Agency	Company	Orphan
June 26, 1990	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	M03AC06	MUSCULO-SKELETAL SYSTEM MUSCLE RELAXANTS MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS Other quaternary ammonium compounds
MeSH PA	D003473	Neuromuscular Nondepolarizing Agents
MeSH PA	D009465	Neuromuscular Agents
MeSH PA	D018377	Neurotransmitter Agents
MeSH PA	D018678	Cholinergic Agents
MeSH PA	D018680	Cholinergic Antagonists
MeSH PA	D018733	Nicotinic Antagonists

Related Drugs by ATC class:

M03AC Other quaternary ammonium compounds 10 drugs

atracuriumcisatracuriumdoxacuriumfazadiniumgallaminehexafluroniummivacuriumpancuroniumrocuroniumvecuronium

Drug Use | Suggest Off label Use Form| |View source of the data|

Disease	Relation	SNOMED_ID	DOID
Muscle relaxation, function	indication	11977004

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	4.95	Basic
pKa2	4.34	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
Acetylcholine receptor	Ion channel	P02708 P11230 Q07001	ACHA_HUMAN ACHB_HUMAN ACHD_HUMAN	ANTAGONIST				WOMBAT-PK	CHEMBL
Neuronal acetylcholine receptor; alpha2/beta4	Ion channel	P30926 Q15822	ACHB4_HUMAN ACHA2_HUMAN					WOMBAT-PK
Neuronal acetylcholine receptor; alpha4/beta2	Ion channel	P17787 P43681	ACHB2_HUMAN ACHA4_HUMAN					WOMBAT-PK
Neuronal acetylcholine receptor; alpha4/beta4	Ion channel	P30926 P43681	ACHB4_HUMAN ACHA4_HUMAN					WOMBAT-PK

External reference:

ID	Source
4019895	VUID
N0000147980	NUI
D00764	KEGG_DRUG
52212-02-9	SECONDARY_CAS_RN
4019550	VANDF
4019895	VANDF
C0071102	UMLSCUI
CHEBI:8230	CHEBI
CHEMBL1201206	ChEMBL_ID
CHEMBL1200722	ChEMBL_ID
D017300	MESH_DESCRIPTOR_UI
DB01338	DRUGBANK_ID
1N3O74HM92	UNII
50192	PUBCHEM_CID
33742	RXNORM
5303	MMSL
d00956	MMSL
003557	NDDF
013423	NDDF
108455007	SNOMEDCT_US
108456008	SNOMEDCT_US
373725008	SNOMEDCT_US
4645	INN_ID

Pharmaceutical products:

None