Details of the Drug

General Information of Drug (ID: DMZ4A2X)

Drug Name

N-(2-Diethylamino-ethyl)-4-hexyloxy-benzamide

Synonyms

CHEMBL122865; N-(2-Diethylamino-ethyl)-4-hexyloxy-benzamide; BDBM50106170; AKOS016689088

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): 1

Molecular Weight (mw)

320.5

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H32N2O2
IUPAC Name: N-[2-(diethylamino)ethyl]-4-hexoxybenzamide
Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)NCCN(CC)CC
InChI: InChI=1S/C19H32N2O2/c1-4-7-8-9-16-23-18-12-10-17(11-13-18)19(22)20-14-15-21(5-2)6-3/h10-13H,4-9,14-16H2,1-3H3,(H,20,22)
InChIKey: ZVGROIFLIDCWLT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv7.1 (KCNQ1)	TT846HF	KCNQ1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design and synthesis of 4-substituted benzamides as potent, selective, and orally bioavailable I(Ks) blockers. J Med Chem. 2001 Nov 8;44(23):3764-7.