Structure

InChI Key QPPBRPIAZZHUNT-UHFFFAOYSA-N
Smile Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
InChI
InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12N4O2S
Molecular Weight 264.31
AlogP 1.17
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 97.97
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial dihydropteroate synthase inhibitor PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 102130
ChEMBL CHEMBL438
DrugBank DB01581
DrugCentral 2510
EPA CompTox DTXSID0023612
FDA SRS UR1SAB295F
Human Metabolome Database HMDB0015521
PharmGKB PA164776842
PubChem 5325
SureChEMBL SCHEMBL33999
ZINC ZINC000000057501