PRALIDOXIME CHLORIDE

/static/temp/default.svg

Search structure


Trade Names	PRALIDOXIME CHLORIDE PROTOPAM CHLORIDE
Synonyms	2-PAM 2-PAM CHLORIDE 2-PAM Chloride 2-Pam Contrathion Duodote NSC-164614 Pralidoxime chloride Pralidoxime chloride (autoinjector) Protopam Protopam chloride
Status
Molecule Category	Salt-form
UNII	38X7XS076H
EPA CompTox	DTXSID1023495
Parent Compound:	PRALIDOXIME


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	HIGSLXSBYYMVKI-UHFFFAOYSA-N
Smiles	C[n+]1ccccc1/C=N/O.[Cl-]
InChI	InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C7H9ClN2O
Molecular Weight	172.61
AlogP	0.32
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	36.47
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	10.0

Bioactivity

Mechanism of Action	Action	Reference
Acetylcholinesterase activator	ACTIVATOR	KEGG DailyMed Wikipedia


Protein: Acetylcholinesterase Description: Acetylcholinesterase Organism : Homo sapiens P22303 ENSG00000087085

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	17770-34700	-	4-38

Assay Description	Organism	Bioactivity	Reference
Reactivation potency against inhibited AChE from rat brain homogenate at 1 mM	Rattus norvegicus	38.0 %
Reactivation potency against inhibited AChE from rat brain homogenate at 0.01 mM	Rattus norvegicus	4.0 %
Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020); MIC in CAMBH media, using NBS plates, by OD(600)	Staphylococcus aureus subsp. aureus	12.69 %
Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CAMBH media using NBS plates, by OD(600)	Escherichia coli	4.53 %
Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); MIC in CAMBH media using NBS plates, by OD(600)	Klebsiella pneumoniae	15.84 %
Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC in CAMBH media using NBS plates, by OD(600)	Pseudomonas aeruginosa	10.72 %
Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MIC in CAMBH media using NBS plates, by OD600	Acinetobacter baumannii	13.89 %
Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB media using NBS plates, by OD630	Candida albicans	0.76 %
Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); MIC in YNB media using NBS plates, by Resazurin OD(600-570)	Cryptococcus neoformans	-2.73 %

Cross References

Resources	Reference
ChEBI	8355
ChEMBL	CHEMBL748
FDA SRS	38X7XS076H
PubChem	135445761
SureChEMBL	SCHEMBL61419

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).