Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0D6KZ
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| Former ID |
DNC014174
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| Drug Name |
KNT-62
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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 |
C28H30N2O5
|
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| Canonical SMILES |
C1CC1CN2CCC34C5C6(CCC3(C2CC7=C4C(=C(C=C7)O)O5)OC6C(=O)N<br />C8=CC=CC=C8)O
|
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| InChI |
1S/C28H30N2O5/c31-19-9-8-17-14-20-28-11-10-27(33,23(35-28)24(32)29-18-4-2-1-3-5-18)25-26(28,21(17)22(19)34-25)12-13-30(20)15-16-6-7-16/h1-5,8-9,16,20,23,25,31,33H,6-7,10-15H2,(H,29,32)/t20-,23-,25+,26-,27-,28+/m0/s1
|
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| InChIKey |
YYNRSCGPLWDLNI-MRMNDBNLSA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Kappa-type opioid receptor | Target Info | Inhibitor | [1] | |
| Mu-type opioid receptor | Target Info | Inhibitor | [1] | ||
| KEGG 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 | |||||
| Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||||
| Enkephalin release | |||||
| 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 | Bioorg Med Chem Lett. 2010 Jan 1;20(1):121-4. Epub 2009 Nov 13.Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology. | ||||
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