Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R4QF
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| Former ID |
DNC005338
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| Drug Name |
HERKINORIN
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| Synonyms |
herkinorin; CHEMBL363324; 862073-77-6; BF3DNCA methyl ester; 9-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho(2,1-c)pyran-7-carboxylic acid methyl ester; SCHEMBL3540059; DTXSID30235444; MolPort-003-983-869; PYDQMXRFUVDCHC-XAGHGKQISA-N; ZINC28461930; BDBM50170678; (3S,4aR,4bS,6S,8R,8aR,10aR)-6-Benzoyloxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester
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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 |
C28H30O8
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| Canonical SMILES |
CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)OC(=O)C4=CC=CC=C4)C)C5=COC=C5
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| InChI |
1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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| InChIKey |
PYDQMXRFUVDCHC-XAGHGKQISA-N
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| CAS Number |
CAS 862073-77-6
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor delta (OPRD1) | Target Info | Inhibitor | [1] |
| Opioid receptor kappa (OPRK1) | Target Info | Inhibitor | [1] | |
| Opioid receptor mu (MOP) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Estrogen signaling pathway | ||||
| Morphine addiction | ||||
| cGMP-PKG signaling pathway | ||||
| Sphingolipid signaling pathway | ||||
| 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 | ||||
| Opioid prodynorphin pathway | ||||
| Opioid proenkephalin pathway | ||||
| Opioid proopiomelanocortin pathway | ||||
| 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 | Herkinorin analogues with differential beta-arrestin-2 interactions. J Med Chem. 2008 Apr 24;51(8):2421-31. | |||
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