Details of the Drug

General Information of Drug (ID: DM5E03C)

Drug Name

4-hexyl-N-(quinolin-3-yl)benzamide

Synonyms

CHEMBL258623; SCHEMBL846650

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)

332.4

Logarithm of the Partition Coefficient (xlogp)

6.5

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C22H24N2O
IUPAC Name: 4-hexyl-N-quinolin-3-ylbenzamide
Canonical SMILES: CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3N=C2
InChI: InChI=1S/C22H24N2O/c1-2-3-4-5-8-17-11-13-18(14-12-17)22(25)24-20-15-19-9-6-7-10-21(19)23-16-20/h6-7,9-16H,2-5,8H2,1H3,(H,24,25)
InChIKey: RTKCLHOLWGNTOT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	N-pyridin-3-yl- and N-quinolin-3-yl-benzamides: modulators of human vanilloid receptor 1 (TRPV1). Bioorg Med Chem Lett. 2008 Apr 15;18(8):2730-4.