Details of the Drug

General Information of Drug (ID: DMVSRYH)

• Drug Name: NE-28345
• Synonyms: Oleylhomovanillamide; NE 28345; N-oleylhomovanillamide; 4-Hydroxy-3-methoxy-N-9-octadecenylbenzeneacetamide (Z)-; Benzeneacetamide, 4-hydroxy-3-methoxy-N-9-octadecenyl-, (Z)-; NE-28345; N-oleyl-homovanillamide; AC1O5R2B; SCHEMBL504255; CHEMBL327447; AKOS030583210; LS-28555

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 431.7
  Logarithm of the Partition Coefficient (xlogp); 8.7
  Rotatable Bond Count (rotbonds); 19
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C27H45NO3
  IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide
  Canonical SMILES: CCCCCCCC/C=C\\CCCCCCCCNC(=O)CC1=CC(=C(C=C1)O)OC
  InChI: InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-27(30)23-24-19-20-25(29)26(22-24)31-2/h10-11,19-20,22,29H,3-9,12-18,21,23H2,1-2H3,(H,28,30)/b11-10-
  InChIKey: PCZMUTQYZKAXBW-KHPPLWFESA-N
• Cross-matching ID:
  PubChem CID: 6439143
  CAS Number: 107512-56-1
  TTD ID: D0P0MN

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	Modulator	[1]

References

• [1] The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.