Details of the Drug

General Information of Drug (ID: DMIMW1E)

Drug Name

4-butyl-N-phenylbenzamide

Synonyms

CHEMBL260465; BDBM50376283

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

253.34

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C17H19NO
IUPAC Name: 4-butyl-N-phenylbenzamide
Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2
InChI: InChI=1S/C17H19NO/c1-2-3-7-14-10-12-15(13-11-14)17(19)18-16-8-5-4-6-9-16/h4-6,8-13H,2-3,7H2,1H3,(H,18,19)
InChIKey: PNJHOPPVHVQWPM-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]

------------------------------------------------------------------------------------

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.