Details of the Drug

General Information of Drug (ID: DM1I0TA)

Drug Name

4-(methyl(octyl)amino)-N-(quinolin-3-yl)benzamide

Synonyms

CHEMBL259017; SCHEMBL846048

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)

389.5

Logarithm of the Partition Coefficient (xlogp)

7.1

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C25H31N3O
IUPAC Name: 4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
Canonical SMILES: CCCCCCCCN(C)C1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3N=C2
InChI: InChI=1S/C25H31N3O/c1-3-4-5-6-7-10-17-28(2)23-15-13-20(14-16-23)25(29)27-22-18-21-11-8-9-12-24(21)26-19-22/h8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,27,29)
InChIKey: YWPSOIQULJMWIC-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.