GR-89696

GR-89696
Identifiers
	IUPAC name methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate;
CAS Number	126766-32-3 ;
PubChem CID	3505;
IUPHAR/BPS	1649;
ChemSpider	3385;
UNII	YDF52K5SDR;
ChEMBL	ChEMBL277863 ;
PDB ligand	U9I (PDBe, RCSB PDB);
CompTox Dashboard (EPA)	DTXSID50875164 ;
Chemical and physical data
Formula	C19H25Cl2N3O3
Molar mass	414.33 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES Clc1ccc(cc1Cl)CC(=O)N2CCN(C(=O)OC)CC2CN3CCCC3;
	InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3; Key:HJUAKZYKCANOOZ-UHFFFAOYSA-N;
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GR-89696 is a drug which acts as a highly selective κ-opioid agonist. It has been studied in various animal species, and has been described as selective for the κ₂ subtype. Recent studies have suggested that GR-89696 and related κ₂-selective agonists may be useful for preventing the itching which is a common side effect of conventional opioid analgesic drugs, without the additional side effects of non-selective kappa agonists. The structure bound to the κ-opioid receptor has been reported.

Identifiers


IUPAC name methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
CAS Number	126766-32-3^Y
PubChem CID	3505
IUPHAR/BPS	1649
ChemSpider	3385
UNII	YDF52K5SDR
ChEMBL	ChEMBL277863^N
PDB ligand	U9I (PDBe, RCSB PDB)
CompTox Dashboard (EPA)	DTXSID50875164
Chemical and physical data
Formula	C₁₉H₂₅Cl₂N₃O₃
Molar mass	414.33 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES Clc1ccc(cc1Cl)CC(=O)N2CCN(C(=O)OC)CC2CN3CCCC3
InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3 Key:HJUAKZYKCANOOZ-UHFFFAOYSA-N
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