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]
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
PubChem CID
44450347
TTD ID
D0T8DR

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.