Details of the Drug

General Information of Drug (ID: DMJYCHG)

• Drug Name: 3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one
• Synonyms: 3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one; BAS 00130047; AC1MJHY9; beta-Aminophenylketone, 3h; CHEMBL236033; BDBM18821; ZINC3065713; NCGC00168202-01; 4'-Hexyl-beta-(dimethylamino)propiophenone

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 261.399
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H27NO
  IUPAC Name: 3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one
  Canonical SMILES: CCCCCCC1=CC=C(C=C1)C(=O)CCN(C)C
  InChI: InChI=1S/C17H27NO/c1-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(2)3/h9-12H,4-8,13-14H2,1-3H3
  InChIKey: KDBREDBLOZXWHK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3092218
  ChEBI ID: CHEMBL236033
  TTD ID: D03VOM
• 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
Thyroid hormone receptor alpha (THRA)	TTTSEPU	THA_HUMAN	Inhibitor	[1]
Thyroid hormone receptor beta (THRB)	TTGER3L	THB_HUMAN	Inhibitor	[1]

References

• [1] Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem. 2007 Nov 1;50(22):5269-80.