SULFACYTINE


Trade Names	RENOQUID
Synonyms	CI-636 NSC-356717 Renoquid Sulfacitine Sulfacytine
Status
Molecule Category	UNKNOWN
UNII	T795873AJP
EPA CompTox	DTXSID6023606


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

Structure


InChI Key	SIBQAECNSSQUOD-UHFFFAOYSA-N
Smiles	CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O
InChI	InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C12H14N4O3S
Molecular Weight	294.34
AlogP	0.65
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	107.08
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Bioactivity

Mechanism of Action	Action	Reference
Dihydropteroate synthetase inhibitor	INHIBITOR	PubMed Wikipedia

Cross References

Resources	Reference
ChEBI	135230
ChEMBL	CHEMBL1201056
DrugBank	DB01298
DrugCentral	2499
FDA SRS	T795873AJP
Human Metabolome Database	HMDB0015412
PharmGKB	PA164754808
PubChem	5322
SureChEMBL	SCHEMBL49377
ZINC	ZINC000000002092

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).

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).