Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0EE3D
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| Former ID |
DNC012358
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| Drug Name |
GUANIDINONALTRINDOLE
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C27H29N5O3
|
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| Canonical SMILES |
C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N<br />6)C=CC(=C8)N=C(N)N
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| InChI |
1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20?,24-,26-,27+/m0/s1
|
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| InChIKey |
VLNHDKDBGWXJEE-GZCZAXCTSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Delta-type opioid receptor | Target Info | Inhibitor | [1] | |
| Mu-type opioid receptor | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | cGMP-PKG signaling pathway | ||||
| Sphingolipid signaling pathway | |||||
| Neuroactive ligand-receptor interactionhsa04080: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 pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||||
| Pathway Interaction Database | IL4-mediated signaling events | ||||
| Reactome | Peptide ligand-binding receptors | ||||
| G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors | |||||
| G alpha (i) signalling events | |||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | ||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP69:TCR Signaling Pathway | |||||
| Opioid Signalling | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | J Med Chem. 2003 Jul 3;46(14):3127-37.Identification of (3R)-7-hydroxy-N-((1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)- 3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl)-1,2,3,4-tetrahydro- 3-isoquinolinecarboxamide as a novel potent and selective opioid kappa receptor antagonist. | ||||
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