Details of the Drug

General Information of Drug (ID: DMN1RLA)

• Drug Name: Resveratrol Potassium3-Sulfate
• Synonyms: Resveratrol Potassium3-Sulfate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 346.4
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C14H11KO6S
  IUPAC Name: potassium;[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl] sulfate
  Canonical SMILES: C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)OS(=O)(=O)[O-])O)O.[K+]
  InChI: InChI=1S/C14H12O6S.K/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19;/h1-9,15-16H,(H,17,18,19);/q;+1/p-1/b2-1+
  InChIKey: ZWGAYYADLYCXQH-TYYBGVCCSA-M
• Cross-matching ID:
  PubChem CID: 46855054
  ChEBI ID: CHEMBL1173685
  TTD ID: D0CW3A
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[1]
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostaglandin G/H synthase 2 (COX-2)	DTT	PTGS2	7.93E-04	-0.29	-0.34
Prostaglandin G/H synthase 1 (COX-1)	DTT	PTGS1	3.97E-03	0.16	0.43

References

• [1] Selective synthesis and biological evaluation of sulfate-conjugated resveratrol metabolites. J Med Chem. 2010 Jul 8;53(13):5033-43.