Details of the Drug

General Information of Drug (ID: DM7LN53)

• Drug Name: 4-cyclopentyliden(4-hydroxyphenyl)methylphenol
• Synonyms: 4-cyclopentyliden(4-hydroxyphenyl)methylphenol; 66422-10-4; SCHEMBL3902681; CHEMBL352015; CTK1J4764; DTXSID00468323; ZINC13650257; bis(4-hydroxyphenyl)methylidenecyclopentane; 4,4'-(Cyclopentylidenemethylene)bis(phenol); Phenol, 4-[cyclopentylidene(4-hydroxyphenyl)methyl]-

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); 266.3
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H18O2
  IUPAC Name: 4-[cyclopentylidene-(4-hydroxyphenyl)methyl]phenol
  Canonical SMILES: C1CCC(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C1
  InChI: InChI=1S/C18H18O2/c19-16-9-5-14(6-10-16)18(13-3-1-2-4-13)15-7-11-17(20)12-8-15/h5-12,19-20H,1-4H2
  InChIKey: GIGYKXHGYNZBEN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11543532
  CAS Number: 66422-10-4
  TTD ID: D04OHM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein kinase C alpha (PRKCA)	TTFJ8Q1	KPCA_HUMAN	Inhibitor	[1]
Protein kinase C beta (PRKCB)	TTYPXQF	KPCB_HUMAN	Inhibitor	[1]
Protein kinase C gamma (PRKCG)	TTRFOXJ	KPCG_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
Protein kinase C gamma (PRKCG)	DTT	PRKCG	9.42E-04	0.06	0.3

References

• [1] Multivariate analysis by the minimum spanning tree method of the structural determinants of diphenylethylenes and triphenylacrylonitriles implicate... J Med Chem. 1992 Feb 7;35(3):573-83.