Details of the Drug

General Information of Drug (ID: DMZHGP6)

Drug Name

4-butyl-N-(7-hydroxynaphthalen-1-yl)benzamide

Synonyms

CHEMBL259601

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)

319.4

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H21NO2
IUPAC Name: 4-butyl-N-(7-hydroxynaphthalen-1-yl)benzamide
Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=C(C=C3)O
InChI: InChI=1S/C21H21NO2/c1-2-3-5-15-8-10-17(11-9-15)21(24)22-20-7-4-6-16-12-13-18(23)14-19(16)20/h4,6-14,23H,2-3,5H2,1H3,(H,22,24)
InChIKey: KSWNGABTIMONPN-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.