Drug Information
Drug General Information | Top | |||
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Drug ID |
D0Q5AJ
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Former ID |
DNC010595
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Drug Name |
MCL-154
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Synonyms |
CHEMBL151872; BDBM50135811; (1R,9R,10R)-17-(cyclobutylmethyl)-4-[(10-{[(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-yl]oxy}decyl)oxy]-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene
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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 |
C52H76N2O2
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Canonical SMILES |
C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)OCCCCCCCCCCOC5=CC6=C(CC7C8C6(CCCC8)CCN7CC9CCC9)C=C5)CC1CCC1
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InChI |
1S/C52H76N2O2/c1(3-5-11-31-55-43-23-21-41-33-49-45-19-7-9-25-51(45,47(41)35-43)27-29-53(49)37-39-15-13-16-39)2-4-6-12-32-56-44-24-22-42-34-50-46-20-8-10-26-52(46,48(42)36-44)28-30-54(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,1-20,25-34,37-38H2/t45-,46-,49+,50+,51+,52+/m0/s1
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InChIKey |
NDMWWBDABLNMKI-YMWIEQFASA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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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 | cGMP-PKG signaling pathway | |||
Sphingolipid signaling 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 | ||||
Opioid proenkephalin pathway | ||||
Opioid proopiomelanocortin pathway | ||||
Opioid prodynorphin pathway | ||||
Pathway Interaction Database | IL4-mediated signaling events | |||
Reactome | Peptide ligand-binding receptors | |||
G alpha (i) signalling events | ||||
WikiPathways | GPCRs, Class A Rhodopsin-like | |||
Peptide GPCRs | ||||
GPCR ligand binding | ||||
GPCR downstream signaling | ||||
TCR Signaling Pathway | ||||
Opioid Signalling |
References | Top | |||
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REF 1 | Effect of linker substitution on the binding of butorphan univalent and bivalent ligands to opioid receptors. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1507-9. |
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