Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0V3OY
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| Former ID |
DIB018428
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| Drug Name |
[3H]U69593
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| Synonyms |
U-69593; U69593; 96744-75-1; U 69593; UNII-J5S4K6TKTG; U 69,593; J5S4K6TKTG; N-Methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-8-yl)benzeneacetamide; CHEBI:73357; n-methyl-2-phenyl-n-[(5r,7s,8s)-7-(pyrrolidin-1-yl)-1-oxaspiro[45]dec-8-yl]acetamide; Benzeneacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(45)dec-8-yl)-, (5alpha,7alpha,8beta)-(-)-; NCGC00163179-01; DSSTox_CID_26326; DSSTox_RID_81542; U69,593; DSSTox_GSID_46326; [3H]-U69593
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C22H32N2O2
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| Canonical SMILES |
CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=CC=CC=C4
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| InChI |
1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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| InChIKey |
PGZRDDYTKFZSFR-ONTIZHBOSA-N
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| CAS Number |
CAS 96744-75-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
841864, 7980860, 10233764, 26756545, 44434631, 48032743, 49689203, 50066063, 50093889, 53787917, 57338019, 76304920, 103177815, 103841744, 104373646, 117567761, 124892412, 128914721, 134349034, 135062519, 135651213, 135651293, 136946583, 142250937, 144205579, 144239943, 162224354, 163426066, 170466866, 172914645, 198966748, 227014322, 252451182
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| ChEBI ID |
CHEBI:73357
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor kappa (OPRK1) | Target Info | Agonist | [3], [4] |
| Opioid receptor mu (MOP) | Target Info | Inhibitor | [5] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Estrogen signaling pathway | ||||
| Morphine addiction | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Opioid prodynorphin pathway | ||||
| Enkephalin release | ||||
| Pathway Interaction Database | IL4-mediated signaling events | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| TCR Signaling Pathway | ||||
| Opioid Signalling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 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: 1656). | |||
| REF 2 | 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: 1655). | |||
| REF 3 | [3H]U-69593 a highly selective ligand for the opioid kappa receptor. Eur J Pharmacol. 1985 Feb 26;109(2):281-4. | |||
| REF 4 | Conformationally constrained kappa receptor agonists: stereoselective synthesis and pharmacological evaluation of 6,8-diazabicyclo[3.2.2]nonane der... J Med Chem. 2010 May 27;53(10):4212-22. | |||
| REF 5 | Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4291-5. | |||
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