Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0O2LD
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| Former ID |
DNC008419
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| Drug Name |
THEBAINE
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| Synonyms |
THEBAINE; Paramorphine; 3-O-Methyl-oripavin; 115-37-7; UNII-2P9MKG8GX7; Thebain; 4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien; EINECS 204-084-1; 2P9MKG8GX7; (5R,9R,13S)-4,5-Epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien; CHEBI:9519; DEA No. 9333; NCGC00160239-01; DSSTox_RID_81337; DSSTox_CID_26099; DSSTox_GSID_46099; Morphinan, 6,7,8,14-tetradehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-; 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan
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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 |
C19H21NO3
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| Canonical SMILES |
CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
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| InChI |
1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
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| InChIKey |
FQXXSQDCDRQNQE-VMDGZTHMSA-N
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| CAS Number |
CAS 115-37-7
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:9519
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor mu (MOP) | Target Info | Inhibitor | [1] |
| 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 | Live cell monitoring of mu-opioid receptor-mediated G-protein activation reveals strong biological activity of close morphine biosynthetic precursors. J Biol Chem. 2007 Sep 14;282(37):27126-32. | |||
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