PENICILLIN G POTASSIUM

/static/temp/default.svg

Search structure


Trade Names	PENICILLIN PENICILLIN G POTASSIUM PENICILLIN G POTASSIUM IN PLASTIC CONTAINER PENICILLIN-2 PENTIDS '200' PENTIDS '250' PENTIDS '400' PENTIDS '800' PFIZERPEN PFIZERPEN G
Synonyms	Benzylpenicillin potassium Cilloral E705 Liquapen NSC-131815 Penicillin Penicillin G Potassium Penicillin g potassium Penicillin g potassium salt Penicillin potassium g, crystalline Penicillin-2 Pentids Pentids '200' Pentids '250' Pentids '400' Pentids '800' Pfizerpen Pfizerpen G Pfizerpen g Scotcil
Status
Molecule Category	Salt-form
UNII	VL775ZTH4C
EPA CompTox	DTXSID7045106


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

Structure


InChI Key	IYNDLOXRXUOGIU-LQDWTQKMSA-M
Smiles	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]
InChI	InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H17KN2O4S
Molecular Weight	372.49
AlogP	0.86
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	86.71
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	23.0

Metabolites Network

visNetwork

Bioactivity

Mechanism of Action	Action	Reference
Bacterial penicillin-binding protein inhibitor	INHIBITOR	PubMed PubMed PubMed

Assay Description	Organism	Bioactivity	Reference
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	13.21 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	28.84 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.05 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.05 %

Cross References

Resources	Reference
ChEBI	7963
ChEMBL	CHEMBL1223
FDA SRS	VL775ZTH4C
PubChem	23664709
SureChEMBL	SCHEMBL34078

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).