Details of the Drug

General Information of Drug (ID: DMEUXOQ)

Drug Name

N-(3,3-Dimethyl-butyl)-4-indol-1-yl-benzamide

Synonyms

CHEMBL431682; N-(3,3-Dimethyl-butyl)-4-indol-1-yl-benzamide; SCHEMBL7214961; BDBM50106177

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)

320.4

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C21H24N2O
IUPAC Name: N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide
Canonical SMILES: CC(C)(C)CCNC(=O)C1=CC=C(C=C1)N2C=CC3=CC=CC=C32
InChI: InChI=1S/C21H24N2O/c1-21(2,3)13-14-22-20(24)17-8-10-18(11-9-17)23-15-12-16-6-4-5-7-19(16)23/h4-12,15H,13-14H2,1-3H3,(H,22,24)
InChIKey: WFFDNQLEAMWQBV-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.