Details of the Drug

General Information of Drug (ID: DM2Y5AP)

Drug Name

N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide

Synonyms

CHEMBL122341; N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide; ZINC13864671; BDBM50106166

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)

305.5

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H31NO2
IUPAC Name: N-(3,3-dimethylbutyl)-4-hexoxybenzamide
Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)NCCC(C)(C)C
InChI: InChI=1S/C19H31NO2/c1-5-6-7-8-15-22-17-11-9-16(10-12-17)18(21)20-14-13-19(2,3)4/h9-12H,5-8,13-15H2,1-4H3,(H,20,21)
InChIKey: JPQPUSQXWSSOFH-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.