SRI22141   Click here for help

GtoPdb Ligand ID: 11694

Synonyms: SRI 22141 | SRI-22141
Compound class: Synthetic organic
Comment: SRI22141 is a dual μ/δ opioid receptor agonist [1]. It was designed as a tool to determine if dual μ/δ agonism could offer a therapeutic option for neuropathic pain, with reduced side effects (re. tolerance and addiction liabilities) compared to traditional μ agonists.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 54.82
Molecular weight 564.22
XLogP 5.77
No. Lipinski's rules broken 1
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Canonical SMILES Clc1ccc(cc1)c1cnc2c(c1)C[C@@]1([C@@]34[C@H]2Oc2c4c(C[C@H]1N(CC3)C)ccc2O)OCCCc1ccccc1
Isomeric SMILES CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@]2(Cc1c4ncc(c1)c1ccc(Cl)cc1)OCCCc1ccccc1)c35
InChI InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
SRI 22141 | SRI-22141
Database Links Click here for help
Specialist databases
GPCRdb Ligand SRI22141
Other databases
BindingDB Ligand 50398758
ChEMBL Ligand CHEMBL2179656
GtoPdb PubChem SID 442878720
PubChem CID 71460944
Search Google for chemical match using the InChIKey AQMQWKFSMIRRJA-OGICNVKRSA-N
Search Google for chemicals with the same backbone AQMQWKFSMIRRJA
UniChem Compound Search for chemical match using the InChIKey AQMQWKFSMIRRJA-OGICNVKRSA-N
UniChem Connectivity Search for chemical match using the InChIKey AQMQWKFSMIRRJA-OGICNVKRSA-N