Details of the Drug

General Information of Drug (ID: DMO5LUF)

Drug Name
arvanil
Synonyms N-vanillylarachidonamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 439.6
Logarithm of the Partition Coefficient (xlogp) 7.2
Rotatable Bond Count (rotbonds) 17
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C28H41NO3
IUPAC Name
(5Z,8Z,11Z,14Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
Canonical SMILES
CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C28H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)29-24-25-21-22-26(30)27(23-25)32-2/h7-8,10-11,13-14,16-17,21-23,30H,3-6,9,12,15,18-20,24H2,1-2H3,(H,29,31)/b8-7-,11-10-,14-13-,17-16-
InChIKey
QVLMCRFQGHWOPM-ZKWNWVNESA-N
Cross-matching ID
PubChem CID
6449767
CAS Number
128007-31-8
TTD ID
D0D7QH

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 Activator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Platelet glycoprotein 4 (CD36) OT5CZWKY CD36_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2485).
2 Cloning and pharmacological characterization of mouse TRPV1. Neurosci Lett. 2004 Nov 3;370(1):55-60.
3 Arvanil and anandamide up-regulate CD36 expression in human peripheral blood mononuclear cells. Immunol Lett. 2007 Apr 15;109(2):145-54. doi: 10.1016/j.imlet.2007.02.004. Epub 2007 Mar 5.