Drug Information

Drug General Information
Drug ID
D0G2YV
Former ID
DNC014191
Drug Name
KNT-5
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530626]
Structure
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2D MOL

3D MOL
Formula
C21H26ClNO4
Canonical SMILES
CN(CC1CC1)C2CC3=C4C(=C(C=C3)O)OC5C46C2(CCC5=O)OCC6.Cl
InChI
1S/C21H25NO4.ClH/c1-22(11-12-2-3-12)16-10-13-4-5-14(23)18-17(13)20-8-9-25-21(16,20)7-6-15(24)19(20)26-18;/h4-5,12,16,19,23H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-;/m1./s1
InChIKey
BJCCGWJRMXDEPD-OPHZJPRHSA-N
PubChem Compound ID
46232162
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [530626]
KEGG 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
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
GPCR downstream signaling
References
Ref 530626Bioorg Med Chem Lett. 2010 Feb 1;20(3):1055-8. Epub 2009 Dec 26.Investigation of Beckett-Casy model 1: synthesis of novel 16,17-seco-naltrexone derivatives and their pharmacology.
Ref 530626Bioorg Med Chem Lett. 2010 Feb 1;20(3):1055-8. Epub 2009 Dec 26.Investigation of Beckett-Casy model 1: synthesis of novel 16,17-seco-naltrexone derivatives and their pharmacology.

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