Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00BIE
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| Former ID |
DNC009531
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| Drug Name |
Cyclo-[Asp6,Lys10]N/OFQ(1-13)NH2
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| Synonyms |
CHEMBL1162357
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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 |
C66H107N23O15
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| Canonical SMILES |
CC1C(=O)NC(C(=O)NC(C(=O)NC(CCCCNC(=O)CC(C(=O)N1)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=CC=C3)N)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N)CCCCN)CCCN=C(N)N
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| InChI |
1S/C66H107N23O15/c1-37(55(95)84-46(25-16-30-76-65(71)72)59(99)83-43(54(70)94)22-10-13-27-67)80-58(98)44-24-12-15-29-75-50(91)34-49(62(102)81-38(2)56(96)85-47(26-17-31-77-66(73)74)61(101)87-45(60(100)86-44)23-11-14-28-68)88-64(104)53(39(3)90)89-63(103)48(33-41-20-8-5-9-21-41)82-52(93)36-78-51(92)35-79-57(97)42(69)32-40-18-6-4-7-19-40/h4-9,18-21,37-39,42-49,53,90H,10-17,22-36,67-69H2,1-3H3,(H2,70,94)(H,75,91)(H,78,92)(H,79,97)(H,80,98)(H,81,102)(H,82,93)(H,83,99)(H,84,95)(H,85,96)(H,86,100)(H,87,101)(H,88,104)(H,89,103)(H4,71,72,76)(H4,73,74,77)/t37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1
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| InChIKey |
QRTPPIOAYQKBJN-WYNMOEERSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Nociceptin receptor (OPRL1) | Target Info | Inhibitor | [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 | ||||
| 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 | |||
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| REF 1 | High affinity conformationally constrained nociceptin/orphanin FQ(1-13) amide analogues. J Med Chem. 2008 Aug 14;51(15):4385-7. | |||
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