Details of the Drug

General Information of Drug (ID: DMOTJWZ)

• Drug Name: 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone
• Synonyms: 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone; CHEMBL493448; SCHEMBL10247513; CHEMBL1187207; BDBM50252801; DB07342; 1(adamantan1yl) 2(1himidazol1yl) ethanone; 1-(adamantan-1-yl)-2-(imidazol-1-yl)ethanone; 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone hydrochloride

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); 244.33
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H20N2O
  IUPAC Name: 1-(1-adamantyl)-2-imidazol-1-ylethanone
  Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=CN=C4
  InChI: InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2
  InChIKey: BBCQJSMDKDHVKG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 20541332
  DrugBank ID: DB07342
  TTD ID: D0K1NM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Heme oxygenase 1 (HMOX1)	TTI6V2A	HMOX1_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.