Compound Detail

CHEMBL1200629

VECURONIUM BROMIDE

💊 Approved Drug

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💊 Approved Drug

CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1200629
Name	VECURONIUM BROMIDE
Phase	Approved
Structure Type	MOL
InChI Key	VEPSYABRBFXYIB-PWXDFCLTSA-M
Therapeutic	✓ Yes
Parent Compound	CHEMBL1201219
Active Moiety	CHEMBL1201219

Known Names

Bromure de vecuronium Bromuro de vecuronio Musculax Norcuron NSC-759184 ORG NC 45 ORG-NC 45 Pancuronium bromide impurity, vecuronium bromide - Vecuronium bromide

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Mechanisms

Molecular Properties

557.8

MW (Da)

5.97

ALogP

HBA

HBD

55.8

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1984
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Parenteral

Flags

Black Box Warning Natural Product

USAN Stem	-ium; -onium
USAN Year	1984

Extended Properties

Molecular Formula	C34H57BrN2O4
MW	637.74
Aromatic Rings	0
Heavy Atoms	40
NP-Likeness	1.54

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Muscle-type nicotinic acetylcholine receptor antagonist	ANTAGONIST	Muscle-type nicotinic acetylcholine receptor	✓	✓

Drug Warnings

Black Box Warning

General Warning

Country: United States

Black Box Warning

carcinogenicity

Country: United States

Activity Summary

IC50 4 meas. best 6.51

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.51	6.51	310.0	1
Multidrug and toxin extrusion protein 1 CHEMBL1743126	IC50	5.72	5.72	1900.0	1
Solute carrier family 22 member 2 CHEMBL1743122	IC50	5.46	5.46	3500.0	1
Multidrug and toxin extrusion protein 2 CHEMBL1743127	IC50	4.6	4.6	25200.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	4.5	mL.min-1.kg-1	Homo sapiens
Fu	0.25	-	Homo sapiens
MRT	1.1	hr	Homo sapiens
T1/2	1.4	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	310.0	nM	6.51	Inhibition of nAChR-mediated twitch response in mouse hemidiaphragm	22910136
Multidrug and toxin extrusion protein 1	IC50	=	1900.0	nM	5.72	Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1...	23241029
Solute carrier family 22 member 2	IC50	=	3500.0	nM	5.46	Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 ...	23241029
Multidrug and toxin extrusion protein 2	IC50	=	25200.0	nM	4.6	Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after ...	23241029

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	492
16472241	10.2174/1570163043334794	Hepatotoxicity	18
18426954	10.1124/dmd.108.020479	ADMET	4
22910136	10.1016/j.ejmech.2012.07.048	Unchecked	2
23241029	10.1021/jm301302s	Multidrug and toxin extrusion protein 1	2
-	10.6019/CHEMBL4513141	Staphylococcus aureus	1
18426954	10.1124/dmd.108.020479	NON-PROTEIN TARGET	1
-	10.6019/CHEMBL4513141	Acinetobacter baumannii	1
-	10.6019/CHEMBL4513141	Pseudomonas aeruginosa	1
-	10.6019/CHEMBL4513141	Klebsiella pneumoniae	1
-	10.6019/CHEMBL4513141	Escherichia coli	1
-	10.6019/CHEMBL4513141	Cryptococcus neoformans	1
-	10.6019/CHEMBL4513141	Candida albicans	1
-	10.1101/2020.04.03.023846	SARS-CoV-2	1
23956101	10.1093/toxsci/kft176	ATP-binding cassette sub-family C member 4	1
23956101	10.1093/toxsci/kft176	ATP-binding cassette sub-family C member 3	1
23956101	10.1093/toxsci/kft176	ATP-binding cassette sub-family C member 2	1
23956101	10.1093/toxsci/kft176	Bile salt export pump	1
23241029	10.1021/jm301302s	Multidrug and toxin extrusion protein 2	1
23241029	10.1021/jm301302s	Solute carrier family 22 member 2	1

Data from ChEMBL 36 via Core Engine