Details of the Drug

General Information of Drug (ID: DM7NS1L)

Drug Name
Savirin
Synonyms
3-(4-propan-2-ylphenyl)sulfonyl-1H-triazolo[1,5-a]quinazolin-5-one; 866350-26-7; 3-[(4-isopropylphenyl)sulfonyl][1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one; 3-[4-(propan-2-yl)benzenesulfonyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one; SMR000016143; MLS000103489; MLS000044860; CHEMBL1494499; CHEBI:107601; HMS2494G18; ZINC8762827; CCG-27345; HTS003632; MFCD05899664; STL094729; AKOS005723252; BS-6686; MCULE-8359721687; UNM000011043901; SR-01000104752; SR-01000104752-1; Q27185926; 3-{[4-(propan-2-yl)phenyl]sulfonyl}[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one
Indication
Disease Entry ICD 11 Status REF
Staphylococcus infection 1B5Y Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 368.4
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H16N4O3S
IUPAC Name
3-(4-propan-2-ylphenyl)sulfonyl-1H-triazolo[1,5-a]quinazolin-5-one
Canonical SMILES
CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=NNN3C2=NC(=O)C4=CC=CC=C43
InChI
InChI=1S/C18H16N4O3S/c1-11(2)12-7-9-13(10-8-12)26(24,25)18-16-19-17(23)14-5-3-4-6-15(14)22(16)21-20-18/h3-11,21H,1-2H3
InChIKey
GIFXGSITUBUVGH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3243271
ChEBI ID
CHEMBL107601
TTD ID
DS19UZ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Accessory gene regulator protein A (Stap-coc agrA) TTWPX3M AGRA_STAAU Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Different drugs for bad bugs: antivirulence strategies in the age of antibiotic resistance. Nat Rev Drug Discov. 2017 Jul;16(7):457-471.
2 Selective chemical inhibition of agr quorum sensing in Staphylococcus aureus promotes host defense with minimal impact on resistance. PLoS Pathog. 2014 Jun 12;10(6):e1004174.