Details of the Drug

General Information of Drug (ID: DM4FLK6)

Drug Name

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

Synonyms

CHEMBL259600; ChemDiv2_003456; AC1N8MZ4; Oprea1_836743; SCHEMBL846554; 4-propyl-N-(3-quinolyl)benzamide; ZINC188371; HMS1378N02; 4-propyl-N-quinolin-3-ylbenzamide; BDBM50376280; AKOS001583305; MCULE-1509884615; EU-0034321; SR-01000396314

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)

290.4

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H18N2O
IUPAC Name: 4-propyl-N-quinolin-3-ylbenzamide
Canonical SMILES: CCCC1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3N=C2
InChI: InChI=1S/C19H18N2O/c1-2-5-14-8-10-15(11-9-14)19(22)21-17-12-16-6-3-4-7-18(16)20-13-17/h3-4,6-13H,2,5H2,1H3,(H,21,22)
InChIKey: ACMQNRGXOSFSMZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4298023
TTD ID: D0D9MW

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)

MIA Detail

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.