Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K9HE
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| Former ID |
DNC001036
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| Drug Name |
Nor-binaltorphimine dihydrochloride
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| Synonyms |
nor-Binaltorphimine dihydrochloride; nor-BNI dihydrochloride; Norbinaltorphimine dihydrochloride; 105618-26-6; EU-0100806; 113158-34-2; CHEMBL2374078; MolPort-003-958-934; Tox21_500806; MFCD00069374; AKOS024457633; LP00806; NCGC00261491-01; NCGC00094139-01; nor-Binaltorphimine dihydrochloride, solid; HY-100903; CS-0020573; N 1771; SR-01000597959; SR-01000075482; SR-01000597959-1; SR-01000075482-1; J-001459
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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 |
C40H45Cl2N3O6
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| Canonical SMILES |
C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C9C12CCN(C(C1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1.Cl.Cl
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| InChI |
1S/C40H43N3O6.2ClH/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19;;/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2;2*1H/t27-,28-,35+,36+,37+,38+,39-,40-;;/m1../s1
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| InChIKey |
JOJPJLHRMGPDPV-LZQROVCBSA-N
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| CAS Number |
CAS 113158-34-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor kappa (OPRK1) | Target Info | Antagonist | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| 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 | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Kappa-opioid receptor selectivity for ischemic neuroprotection with BRL 52537 in rats. Anesth Analg. 2003 Dec;97(6):1776-83. | |||
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