Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05JSY
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| Former ID |
DNC006045
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| Drug Name |
MCL-145
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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 |
C46H58N2O4
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| Canonical SMILES |
C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)OC(=O)C=CC(=O)OC5=CC6=C(CC7C8C6(CCCC8)CCN7CC9CCC9)C=C5)CC1CCC1
|
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| InChI |
1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37-,38-,41+,42+,45+,46+/m0/s1
|
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| InChIKey |
AJIAOWVCYKDFGH-KBJNHENKSA-N
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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 | |||
| cGMP-PKG signaling pathway | ||||
| Sphingolipid signaling pathway | ||||
| 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 | ||||
| Opioid prodynorphin pathway | ||||
| Enkephalin release | ||||
| Opioid proenkephalin pathway | ||||
| Opioid proopiomelanocortin 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 | |||
|---|---|---|---|---|
| REF 1 | Synthesis and preliminary in vitro investigation of bivalent ligands containing homo- and heterodimeric pharmacophores at mu, delta, and kappa opio... J Med Chem. 2006 Jan 12;49(1):256-62. | |||
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