Details of the Drug

General Information of Drug (ID: DM5E74G)

Drug Name
2-Phenoxymethyl-4,5-dihydro-1H-imidazole
Synonyms 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole; CHEMBL14640; 43111-36-0; SCHEMBL546875; 2-(Phenoxymethyl)-2-imidazoline; BDBM50179395; AKOS006278066; 1H-Imidazole, 4,5-dihydro-2-(phenoxymethyl)-
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) 176.21
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H12N2O
IUPAC Name
2-(phenoxymethyl)-4,5-dihydro-1H-imidazole
Canonical SMILES
C1CN=C(N1)COC2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
InChIKey
GRMJZZBFHKTYDJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10442227
ChEBI ID
CHEMBL14640
CAS Number
43111-36-0
TTD ID
D0N9FH
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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.