Details of the Drug

General Information of Drug (ID: DMTUL9J)

• Drug Name: Adamantan-1-yl-piperidin-1-yl-methanone
• Synonyms: Adamantan-1-yl-piperidin-1-yl-methanone; adamantanyl piperidyl ketone; CHEMBL245590; 1-adamantyl(piperidino)methanone; 22508-49-2; (3r,5r,7r)-adamantan-1-yl(piperidin-1-yl)methanone; 1-adamantyl(piperidin-1-yl)methanone; SMR000117086; AC1LBKY9; Maybridge1_008125; Oprea1_633750; Oprea1_290126; MLS000526612; Piperidino(1-adamantyl) ketone; SCHEMBL3457055; SCHEMBL19841773; CTK7F5375; HMS564J07; BURUIZXRHQWZQI-UHFFFAOYSA-N; MolPort-001-930-823; 1-(1-Adamantylcarbonyl)piperidine; HMS2178P18; ZINC4031797

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); 247.38
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C16H25NO
  IUPAC Name: 1-adamantyl(piperidin-1-yl)methanone
  Canonical SMILES: C1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3
  InChI: InChI=1S/C16H25NO/c18-15(17-4-2-1-3-5-17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2
  InChIKey: BURUIZXRHQWZQI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 584509
  TTD ID: D0D3NV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)	TTN7BL9	DHI1_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
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)	DTT	HSD11B1	2.03E-01	-0.01	-0.08

References

• [1] Discovery and biological evaluation of adamantyl amide 11beta-HSD1 inhibitors. Bioorg Med Chem Lett. 2007 May 15;17(10):2838-43.