Details of the Drug

General Information of Drug (ID: DMAEN9Y)

• Drug Name: Adamantan-1-yl-pyrrolidin-1-yl-methanone
• Synonyms: Adamantan-1-yl-pyrrolidin-1-yl-methanone; CHEMBL392866; 1-adamantyl(1-pyrrolidinyl)methanone; 22508-51-6; (3r,5r,7r)-adamantan-1-yl(pyrrolidin-1-yl)methanone; 1-adamantyl(pyrrolidin-1-yl)methanone; AC1MCDV9; CBMicro_007397; Cambridge id 5142982; Oprea1_111627; Oprea1_295021; MLS000526196; adamantanyl pyrrolidinyl ketone; SCHEMBL3456185; MolPort-001-930-821; HMS2477C05; HMS1608M03; ZINC4031845; SMSF0003738; STK091400; BDBM50207788; 1-(adamantane-1-carbonyl)pyrrolidine; AKOS000612243; CCG-246226; CB09819; MCULE-7009966643

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); 233.35
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C15H23NO
  IUPAC Name: 1-adamantyl(pyrrolidin-1-yl)methanone
  Canonical SMILES: C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)C3
  InChI: InChI=1S/C15H23NO/c17-14(16-3-1-2-4-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2
  InChIKey: RVXVNLMWQYKNHL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2741656
  CAS Number: 22508-51-6
  TTD ID: D0VC2M

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.