navamepent   

GtoPdb Ligand ID: 9463

Synonyms: RX-10045
Compound class: Synthetic organic
Comment: Navamepent (RX-10045) is a stable resolvin E1 analogue, that is being investigated for clinical efficacy in occular inflammation [3]. Chemically this is an isopropyl ester prodrug of resolvin E1 (an agonist of the chemerin receptor). The chemical structure is claimed in patent US20140275247A1 (as Example 1001) [2]. Findings from animal studies are reported in [1] and [4].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 66.76
Molecular weight 304.17
XLogP 2.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C#CCC(C=CC=CC#CC(CCCC(=O)OC(C)C)O)O
Isomeric SMILES C#CC[C@H](/C=C/C=C/C#C[C@H](CCCC(=O)OC(C)C)O)O
InChI InChI=1S/C18H24O4/c1-4-10-16(19)11-7-5-6-8-12-17(20)13-9-14-18(21)22-15(2)3/h1,5-7,11,15-17,19-20H,9-10,13-14H2,2-3H3/b6-5+,11-7+/t16-,17-/m1/s1
InChI Key ZVOCIIHCJJEFRQ-BHXBHYJPSA-N
Classification
Compound class Synthetic organic
IUPAC Name
propan-2-yl (5S,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate
International Nonproprietary Names
INN number INN
10241 navamepent
Synonyms
RX-10045
Database Links
CAS Registry No. 1251537-11-7 (source: WHO INN record)
GtoPdb PubChem SID 329968403
PubChem CID 46926878
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