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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL102763
TTD ID
D0L9WN
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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]
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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
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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.