Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03BVN
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| Former ID |
DNC008222
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| Drug Name |
2-MePen-RYYRIK-NH2
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| Synonyms |
CHEMBL437601
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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 |
C48H78N14O8
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| Canonical SMILES |
CCCC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)N
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| InChI |
1S/C48H78N14O8/c1-5-14-30(4)41(65)58-35(18-12-25-55-47(51)52)42(66)60-37(27-31-15-8-7-9-16-31)45(69)61-38(28-32-20-22-33(63)23-21-32)44(68)59-36(19-13-26-56-48(53)54)43(67)62-39(29(3)6-2)46(70)57-34(40(50)64)17-10-11-24-49/h7-9,15-16,20-23,29-30,34-39,63H,5-6,10-14,17-19,24-28,49H2,1-4H3,(H2,50,64)(H,57,70)(H,58,65)(H,59,68)(H,60,66)(H,61,69)(H,62,67)(H4,51,52,55)(H4,53,54,56)/t29-,30?,34-,35-,36-,37-,38-,39-/m0/s1
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| InChIKey |
TYNKFZNKNQQZMB-GUICQBDJSA-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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