Details of the Drug

General Information of Drug (ID: DMX5V9T)

Drug Name

4-(3-(Dimethylamino)propanoyl)-N-hexylbenzamide

Synonyms

CHEMBL561648; 4-(3-(Dimethylamino)propanoyl)-N-hexylbenzamide

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)

304.4

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H28N2O2
IUPAC Name: 4-[3-(dimethylamino)propanoyl]-N-hexylbenzamide
Canonical SMILES: CCCCCCNC(=O)C1=CC=C(C=C1)C(=O)CCN(C)C
InChI: InChI=1S/C18H28N2O2/c1-4-5-6-7-13-19-18(22)16-10-8-15(9-11-16)17(21)12-14-20(2)3/h8-11H,4-7,12-14H2,1-3H3,(H,19,22)
InChIKey: BARBHIHQBFLEIN-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.