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]
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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: CHEBI:107601
TTD ID: DS19UZ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.