Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0U3UM
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| Former ID |
DNC012814
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| Drug Name |
ETONITAZENE
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| Synonyms |
Etonitazene; Etonitazine; Etonitazinum; Ciba 20-684BA; ARC 1G2; Etobedolum; 911-65-9; Etonitazenum [INN-Latin]; NIH 7607; Etonitazeno [INN-Spanish]; Etonitazene [INN:BAN:DCF]; UNII-9U3GT3353T; EINECS 213-009-1; Ba-20684; Ba 20684; BRN 0363324; CHEMBL312040; DEA No. 9624; PXDBZSCGSQSKST-UHFFFAOYSA-N; C22H28N4O3; 9U3GT3353T; 1-(2-(Diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-nitrobenzimidazole; 1-(2-Diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitrobenzimidazole; 1H-Benzimidazole-1-ethanamine, 2-((4-ethoxyphenyl)methyl)-N,N-diethyl-5-nitro-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C22H28N4O3
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| Canonical SMILES |
CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC
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| InChI |
1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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| InChIKey |
PXDBZSCGSQSKST-UHFFFAOYSA-N
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| CAS Number |
CAS 911-65-9
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| PubChem Compound ID | ||||
| PubChem Substance ID |
6689003, 8160151, 15054622, 29281627, 46508885, 47434902, 48329113, 49882799, 50309062, 57328161, 85209419, 103285455, 103925881, 104331902, 117383265, 126409156, 127331490, 127331491, 127331492, 127331493, 127331494, 128980963, 134224012, 134350019, 134979734, 135650245, 137248664, 144206383, 160964721, 179293665, 198964317, 224204224, 226413319, 241164679, 249950794
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor delta (OPRD1) | Target Info | Inhibitor | [2] |
| Opioid receptor kappa (OPRK1) | Target Info | Inhibitor | [2] | |
| Opioid receptor mu (MOP) | Target Info | Inhibitor | [3] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| cGMP-PKG signaling pathway | ||||
| Sphingolipid signaling pathway | ||||
| 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 | ||||
| Opioid proenkephalin pathway | ||||
| Opioid proopiomelanocortin pathway | ||||
| 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: 1624). | |||
| REF 2 | Photoactivatable opiate derivatives as irreversible probes of the mu-opioid receptor. J Med Chem. 1990 Sep;33(9):2456-64. | |||
| REF 3 | Ligand binding to nucleic acids and proteins: Does selectivity increase with strength Eur J Med Chem. 2008 Nov;43(11):2307-15. | |||
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