Details of the Drug

General Information of Drug (ID: DM8EZTM)

Drug Name
RvD1-ME
Synonyms RvD1-methyl ester
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): 1 Molecular Weight (mw) 390.5
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 15
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H34O5
IUPAC Name
methyl (4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoate
Canonical SMILES
CC/C=C\\C[C@@H](/C=C/C=C\\C=C\\C=C\\[C@H]([C@H](C/C=C\\CCC(=O)OC)O)O)O
InChI
InChI=1S/C23H34O5/c1-3-4-10-15-20(24)16-11-7-5-6-8-12-17-21(25)22(26)18-13-9-14-19-23(27)28-2/h4-13,16-17,20-22,24-26H,3,14-15,18-19H2,1-2H3/b7-5-,8-6+,10-4-,13-9-,16-11+,17-12+/t20-,21+,22-/m0/s1
InChIKey
WUKVAFWBFGABJN-ZXQGQRHTSA-N
Cross-matching ID
PubChem CID
71519431
TTD ID
D0V8YH
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
FMLP-related receptor I (FPR2) TTOJ1NF FPR2_HUMAN Agonist [2]
G-protein coupled receptor 32 (GPR32) TT7OCUB GPR32_HUMAN Agonist [2]
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: 5555).
2 Resolvin D1 receptor stereoselectivity and regulation of inflammation and proresolving microRNAs. Am J Pathol. 2012 May;180(5):2018-27.