Details of the Drug

General Information of Drug (ID: DMMJ613)

• Drug Name: 2,2',4,4'-tetrahydroxy-6'-methoxychalcone
• Synonyms: CHEMBL244248; BDBM50203987

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 302.28
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C16H14O6
  IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
  Canonical SMILES: COC1=CC(=CC(=C1C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)O
  InChI: InChI=1S/C16H14O6/c1-22-15-8-11(18)7-14(21)16(15)12(19)5-3-9-2-4-10(17)6-13(9)20/h2-8,17-18,20-21H,1H3/b5-3+
  InChIKey: NNOIQNQJIKZQCN-HWKANZROSA-N
• Cross-matching ID:
  PubChem CID: 44428616
  TTD ID: D0L3KR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_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
Tyrosinase (TYR)	DTT	TYR	6.68E-04	2.54	1.15

References

• [1] Synthesis and evaluation of 2',4',6'-trihydroxychalcones as a new class of tyrosinase inhibitors. Bioorg Med Chem. 2007 Mar 15;15(6):2396-402.