Details of the Drug

General Information of Drug (ID: DMLODAM)

Drug Name
1-(4-(Hexyloxy)phenyl)-3-morpholinopropan-1-one
Synonyms CHEMBL561245; 1-(4-(Hexyloxy)phenyl)-3-morpholinopropan-1-one
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) 319.4
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H29NO3
IUPAC Name
1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one
Canonical SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2
InChI
InChI=1S/C19H29NO3/c1-2-3-4-5-14-23-18-8-6-17(7-9-18)19(21)10-11-20-12-15-22-16-13-20/h6-9H,2-5,10-16H2,1H3
InChIKey
VJZCZCUEZMGVCL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24843916
ChEBI ID
CHEMBL561245
TTD ID
D0H6BV
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thyroid hormone receptor beta (THRB) TTGER3L THB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem. 2009 Jul 9;52(13):3892-901.