Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0PN2C
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| Former ID |
DNC008228
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| Drug Name |
IsoBu-RYYRIK-NH2
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| Synonyms |
CHEMBL436852
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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 |
C46H74N14O8
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)C
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| InChI |
1S/C46H74N14O8/c1-5-28(4)37(44(68)55-32(38(48)62)15-9-10-22-47)60-41(65)34(17-12-24-54-46(51)52)57-42(66)36(26-30-18-20-31(61)21-19-30)59-43(67)35(25-29-13-7-6-8-14-29)58-40(64)33(56-39(63)27(2)3)16-11-23-53-45(49)50/h6-8,13-14,18-21,27-28,32-37,61H,5,9-12,15-17,22-26,47H2,1-4H3,(H2,48,62)(H,55,68)(H,56,63)(H,57,66)(H,58,64)(H,59,67)(H,60,65)(H4,49,50,53)(H4,51,52,54)/t28-,32-,33-,34-,35-,36-,37-/m0/s1
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| InChIKey |
WWFAEBUHIGIWNK-KHLMYIKTSA-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 | |||
|---|---|---|---|---|
| REF 1 | Designed modification of partial agonist of ORL1 nociceptin receptor for conversion into highly potent antagonist. Bioorg Med Chem. 2008 Mar 1;16(5):2635-44. | |||
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