Details of the Drug

General Information of Drug (ID: DMJ6MPO)

Drug Name
(+/-)-2-Methyl-1-(1-phenylethyl)-1H-imidazole
Synonyms
Efetozole; CHEMBL1269155; Efetozole [INN]; 2-methyl-1-(1-phenylethyl)-1H-imidazole; AC1L4LLD; (+/-)-2-Methyl-1-(1-phenylethyl)-1H-imidazole; SCHEMBL2109012; MolPort-020-890-666; CGP-22364A; BDBM50330055; 2-methyl-1-(1-phenylethyl)imidazole; AKOS013440375; 90408-21-2; (+-)-2-Methyl-1-(alpha-methylbenzyl)imidazole; (- )-2-Methyl-1-(alpha-methylbenzyl)imidazole.
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) 186.25
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C12H14N2
IUPAC Name
2-methyl-1-(1-phenylethyl)imidazole
Canonical SMILES
CC1=NC=CN1C(C)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2/c1-10(12-6-4-3-5-7-12)14-9-8-13-11(14)2/h3-10H,1-2H3
InChIKey
CILDGVODBJAMGO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
208911
CAS Number
99500-54-6
TTD ID
D0Z3ZZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase brain (NOS1) TTZUFI5 NOS1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Nitric-oxide synthase brain (NOS1) DTT NOS1 5.20E-01 0.02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6495-9.