Details of the Drug

General Information of Drug (ID: DMG8DLM)

Drug Name
1-(3-phenoxypropyl)-4-(piperidin-1-yl)piperidine
Synonyms CHEMBL428756; 1-(3-phenoxypropyl)-4-(piperidin-1-yl)piperidine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.5
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H30N2O
IUPAC Name
1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine
Canonical SMILES
C1CCN(CC1)C2CCN(CC2)CCCOC3=CC=CC=C3
InChI
InChI=1S/C19H30N2O/c1-3-8-19(9-4-1)22-17-7-12-20-15-10-18(11-16-20)21-13-5-2-6-14-21/h1,3-4,8-9,18H,2,5-7,10-17H2
InChIKey
GCJKCPQHXFIKIF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24744901
TTD ID
D00OUF

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.