Details of the Drug

General Information of Drug (ID: DMS4D96)

Drug Name
imiloxan
Synonyms RS-21361; GNF-Pf-2156
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 244.29
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H16N2O2
IUPAC Name
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole
Canonical SMILES
CCN1C=CN=C1CC2COC3=CC=CC=C3O2
InChI
InChI=1S/C14H16N2O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11/h3-8,11H,2,9-10H2,1H3
InChIKey
UXABARREKCJULM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
133621
ChEBI ID
CHEMBL91522
CAS Number
81167-16-0
TTD ID
D03IVG
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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-2B (ADRA2B) TTWM4TY ADA2B_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3470).
2 Assessment of imiloxan as a selective alpha 2B-adrenoceptor antagonist. Br J Pharmacol. 1990 Mar;99(3):560-4.