Details of the Drug

General Information of Drug (ID: DMOHBCN)

• Drug Name: Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 12
• Synonyms: PMID26815044-Compound-76

Indication

Disease Entry	ICD 11	Status	REF
Albinism	EC23.2	Patented	[1]
Ephelides	ED61.0	Patented	[1]
Melasma	ED60.1	Patented	[1]
Menkes disease	5C64.0	Patented	[1]
Senile lentigines	ED61.0	Patented	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 250.28
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H10N2O3S
  IUPAC Name: (5Z)-2-amino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
  Canonical SMILES: COC1=C(C=C(C=C1)/C=C\\2/C(=O)N=C(S2)N)O
  InChI: InChI=1S/C11H10N2O3S/c1-16-8-3-2-6(4-7(8)14)5-9-10(15)13-11(12)17-9/h2-5,14H,1H3,(H2,12,13,15)/b9-5-
  InChIKey: WCHCAGWRYJMMPY-UITAMQMPSA-N
• Cross-matching ID:
  PubChem CID: 5851417
  TTD ID: D0HO0I
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

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: Albinism
• ICD Disease Classification: EC23.2

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] Tyrosinase inhibitors: a patent review (2011-2015).Expert Opin Ther Pat. 2016;26(3):347-62.