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]
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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

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]

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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.