Details of the Drug

General Information of Drug (ID: DMYZHXR)

• Drug Name: 4-(4-Methyl-indan-1-yl)-1H-imidazole
• Synonyms: SCHEMBL7035172; CHEMBL102763; 1H-Imidazole, 5-(2,3-dihydro-4-methyl-1H-inden-1-yl)-; AKOS006291239; 4-(4-methylindan-1-yl)-1h-imidazole; 192208-31-4; L016358

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); 198.26
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H14N2
  IUPAC Name: 5-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
  Canonical SMILES: CC1=C2CCC(C2=CC=C1)C3=CN=CN3
  InChI: InChI=1S/C13H14N2/c1-9-3-2-4-11-10(9)5-6-12(11)13-7-14-8-15-13/h2-4,7-8,12H,5-6H2,1H3,(H,14,15)
  InChIKey: XXQLSAWUSXSJTK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9990325
  TTD ID: D0L9WN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1B (ADRA1B)	TTBRKXS	ADA1B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_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
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

References

• [1] Medetomidine analogs as alpha 2-adrenergic ligands. 3. Synthesis and biological evaluation of a new series of medetomidine analogs and their potent... J Med Chem. 1997 Sep 12;40(19):3014-24.