Details of the Drug

General Information of Drug (ID: DM4H6PC)

Drug Name
2-Phenethyl-4,5-dihydro-1H-imidazole
Synonyms
beta-Phenylethylimidazoline; 2-Phenethyl-2-imidazoline; 2-IMIDAZOLINE, 2-PHENETHYL-; BRN 0129593; 1H-Imidazole, 4,5-dihydro-2-(2-phenylethyl)-; 26038-62-0; 2-Phenethyl-4,5-dihydro-1H-imidazole; CHEMBL14210; 2-(beta-Phenylaethyl)imidazolin [German]; Phenyzoline; 2-(beta-Phenylaethyl)imidazolin; 2-Phenethyl-1-imidazoline; AC1L1PA8; 5-23-07-00011 (Beilstein Handbook Reference); SCHEMBL3172677; DTXSID30180682; BDBM50138499; AKOS022535828; LS-79674
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) 174.24
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C11H14N2
IUPAC Name
2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
Canonical SMILES
C1CN=C(N1)CCC2=CC=CC=C2
InChI
InChI=1S/C11H14N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5H,6-9H2,(H,12,13)
InChIKey
CPMMXSDLEOJRHI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
33273
ChEBI ID
CHEMBL14210
CAS Number
26038-62-0
TTD ID
D0Z7NC
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_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
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
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References

1 Binding of an imidazopyridoindole at imidazoline I2 receptors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):527-9.