Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0WT7H
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| Former ID |
DNC014121
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| Drug Name |
Beta-funaltrexamine
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| Synonyms |
beta-Funaltrexamine; beta-Fna; Naltrexone fumarate methyl ester; 72782-05-9; CHEMBL473136; CHEBI:81527; 2-Butenoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, (E)-; Beta Funaltrexamine; Beta-Funeltrexamine; SCHEMBL1240811; GTPL1631; ZINC3995756; PDSP2_001549; PDSP2_000394; BDBM50247803; NCGC00163180-01; LS-47116; C18127; methyl 3-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-ylcarbamoyl]-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C25H30N2O6
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| Canonical SMILES |
COC(=O)C=CC(=O)NC1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O
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| InChI |
1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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| InChIKey |
PQKHESYTSKMWFP-WZJCLRDWSA-N
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| CAS Number |
CAS 72782-05-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:81527
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor mu (MOP) | Target Info | Inhibitor | [2] |
| 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 | ||||
| Enkephalin release | ||||
| Pathway Interaction Database | IL4-mediated signaling events | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | TCR Signaling Pathway | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Peptide GPCRs | ||||
| Opioid Signalling | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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: 1631). | |||
| REF 2 | Discovery of dermorphin-based affinity labels with subnanomolar affinity for mu opioid receptors. J Med Chem. 2009 Dec 10;52(23):7372-5. | |||
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