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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

244.33

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	Chemoprevention of severe neonatal hyperbilirubinemia. Semin Perinatol. 2004 Oct;28(5):365-8.
3	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4	DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
5	Adenovirus-mediated heme oxygenase-1 gene delivery inhibits injury-induced vascular neointima formation. Circulation. 2001 Nov 27;104(22):2710-5.