oliceridine   

GtoPdb Ligand ID: 7334

Synonyms: TRV130 | TRV130A
Compound class: Synthetic organic
Comment: Oliceridine (TRV130) is an opioid compound. This compound has been developed to exhibit biased-signalling (specifically bias towards G protein signalling), with the aim of reducing the adverse effects associated with use of other opioid drugs [1-2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 71.62
Molecular weight 386.2
XLogP 3.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccsc1CNCCC1(CCOC2(C1)CCCC2)c1ccccn1
Isomeric SMILES COc1ccsc1CNCC[C@]1(CCOC2(C1)CCCC2)c1ccccn1
InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
InChI Key DMNOVGJWPASQDL-OAQYLSRUSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethyl})amine
International Nonproprietary Names
INN number INN
10250 oliceridine
Synonyms
TRV130 | TRV130A
Database Links
ChEMBL Ligand CHEMBL2443262
GtoPdb PubChem SID 178103906
PubChem CID 66553195
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Wikipedia TRV130