Details of the Drug

General Information of Drug (ID: DMNDJTL)

• Drug Name: 1'-(4-Methyl-benzyl)-[1,4']bipiperidinyl
• Synonyms: CHEMBL399558; Tyrosinase Inhibitor, 4; BDBM50218211

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); 272.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H28N2
  IUPAC Name: 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine
  Canonical SMILES: CC1=CC=C(C=C1)CN2CCC(CC2)N3CCCCC3
  InChI: InChI=1S/C18H28N2/c1-16-5-7-17(8-6-16)15-19-13-9-18(10-14-19)20-11-3-2-4-12-20/h5-8,18H,2-4,9-15H2,1H3
  InChIKey: XJYLZLHTPACMIL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 23727896
  TTD ID: D00LMT

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] Dragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays. Eur J Med Chem. 2007 Nov-Dec;42(11-12):1370-81.