Details of the Drug

General Information of Drug (ID: DMKORTS)

Drug Name
2-Hexyloxy-5-imidazol-1-yl-pyridine
Synonyms CHEMBL320105; 2-Hexyloxy-5-imidazol-1-yl-pyridine; SCHEMBL14129948; BDBM50138236
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) 245.32
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H19N3O
IUPAC Name
2-hexoxy-5-imidazol-1-ylpyridine
Canonical SMILES
CCCCCCOC1=NC=C(C=C1)N2C=CN=C2
InChI
InChI=1S/C14H19N3O/c1-2-3-4-5-10-18-14-7-6-13(11-16-14)17-9-8-15-12-17/h6-9,11-12H,2-5,10H2,1H3
InChIKey
DCDHWTNKKCKJLQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44341439
ChEBI ID
CHEMBL320105
TTD ID
D00AEX
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Debrisoquine 4-hydroxylase (CYP2D6) TTVG215 CP2D6_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.