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

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.