Details of the Drug

General Information of Drug (ID: DMM6KBD)

• Drug Name: 2,2',4,4'-tetrahydroxychalcone
• Synonyms: 2,4,2',4'-Tetrahydroxychalcone; 2,2',4,4'-tetrahydroxychalcone; CHEMBL394855; SCHEMBL675094; 2,4,2'',4''-tetrahydroxychalcone; LMPK12120128; 2,2'',4,4''-tetrahydroxychalcone; BDBM50203985

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); 272.25
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C15H12O5
  IUPAC Name: (E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-one
  Canonical SMILES: C1=CC(=C(C=C1O)O)/C=C/C(=O)C2=C(C=C(C=C2)O)O
  InChI: InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+
  InChIKey: ZWTDXYUDJYDHJR-QHHAFSJGSA-N
• Cross-matching ID:
  PubChem CID: 10107266
  TTD ID: D0BH2T

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.