SULFAPYRIDINE

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Search structure


Trade Names	SULFAPYRIDINE
Synonyms	Coccoclase Concord 693 Dagenan Eubasin NSC-41791 NSC-4753 Piridazol Sulfanilamidopyridine Sulfapyridine Sulphapyridine
Status
Molecule Category	UNKNOWN
ATC	J01EB04
UNII	Y5V2N1KE8U
EPA CompTox	DTXSID3026067


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

Structure


InChI Key	GECHUMIMRBOMGK-UHFFFAOYSA-N
Smiles	Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChI	InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C11H11N3O2S
Molecular Weight	249.3
AlogP	1.46
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	85.08
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	17.0

Bioactivity

Mechanism of Action	Action	Reference
Bacterial dihydropteroate synthase inhibitor	INHIBITOR	ISBN

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	105

Assay Description	Organism	Bioactivity	Reference
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	73.46 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	105.23 %
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	10.04 %
Inhibition of Streptococcus pyogenes SrtA deltaN81 mutant expressed in Escherichia coli BL21(DE3) at 100 uM using Abz-LPETA-Dap(Dnp) as substrate preincubated for 10 mins followed by substrate addition measured every min for 2.5 hrs by fluorimetric assay relative to control	Streptococcus pyogenes	3.8 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	18.17 %
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	0.32 %		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	0.32 %

Environmental Exposure

Environmental Exposure Map

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia
Vietnam

Cross References

Resources	Reference
ChEBI	132842
ChEMBL	CHEMBL700
DrugBank	DB00891
DrugCentral	2524
FDA SRS	Y5V2N1KE8U
Human Metabolome Database	HMDB0015028
PDB	SFY
PharmGKB	PA164779050
PubChem	5336
SureChEMBL	SCHEMBL44219
ZINC	ZINC000000002105

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).