Details of the Drug

General Information of Drug (ID: DM6EJQ4)

Drug Name

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

Synonyms

CHEMBL121751; N-(3,3-Dimethyl-cyclopentyl)-4-hexyloxy-benzamide; SCHEMBL7219320; BDBM50106184

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)

317.5

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H31NO2
IUPAC Name: N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide
Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)NC2CCC(C2)(C)C
InChI: InChI=1S/C20H31NO2/c1-4-5-6-7-14-23-18-10-8-16(9-11-18)19(22)21-17-12-13-20(2,3)15-17/h8-11,17H,4-7,12-15H2,1-3H3,(H,21,22)
InChIKey: SPDGMSMRHOXECU-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.