Details of the Drug

General Information of Drug (ID: DME24LV)

• Drug Name: 4-adamantyl resorcinol
• Synonyms: 4-adamantyl resorcinol; CHEMBL474953; 4-(adamant-1-yl)resorcin; 4-(1-Adamantyl)resorcinol; SCHEMBL2420330; NAJPJOQCMCYGLX-UHFFFAOYSA-N; 1-(2,4-dihydroxyphenyl)adamantane

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); 244.33
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H20O2
  IUPAC Name: 4-(1-adamantyl)benzene-1,3-diol
  Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)O)O
  InChI: InChI=1S/C16H20O2/c17-13-1-2-14(15(18)6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,17-18H,3-5,7-9H2
  InChIKey: NAJPJOQCMCYGLX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15105171
  TTD ID: D02VKX

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] Studies on depigmenting activities of dihydroxyl benzamide derivatives containing adamantane moiety. Bioorg Med Chem Lett. 2009 Mar 1;19(5):1532-3.