Details of the Drug

General Information of Drug (ID: DM5K0EI)

• Drug Name: Adamantan-1-yl-piperazin-1-yl-methanone
• Synonyms: 1-(1-adamantylcarbonyl)piperazine; 29869-08-7; adamantanyl piperazinyl ketone; CHEMBL391335; piperazin-1-yl(tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone; adamantan-1-yl-piperazin-1-yl-methanone; AC1Q5KAX; SCHEMBL1150471; CTK4G3954; DTXSID70589438; XAFSAELWLMDLKL-UHFFFAOYSA-N; MolPort-006-345-515; 1-(1-adamantanecarbonyl)piperazine; ALBB-024506; ZINC12343593; STL412114; BDBM50207783; SBB071957; BBL037233; AKOS009097513; MCULE-3925280273; ST072044; EN300-25317; AB00983558-01; piperazine, 1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-

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); 248.36
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H24N2O
  IUPAC Name: 1-adamantyl(piperazin-1-yl)methanone
  Canonical SMILES: C1CN(CCN1)C(=O)C23CC4CC(C2)CC(C4)C3
  InChI: InChI=1S/C15H24N2O/c18-14(17-3-1-16-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,1-10H2
  InChIKey: XAFSAELWLMDLKL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 17233943
  CAS Number: 29869-08-7
  TTD ID: D00DDJ

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.