Drug Information

Drug General Information
Drug ID
D0Z1WY
Former ID
DNC008110
Drug Name
2-chloro-2'-C-methyl-tecadenoson
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529098]
Structure
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2D MOL

3D MOL
Formula
C15H20ClN5O5
Canonical SMILES
CC1(C(C(OC1N2C=NC3=C2N=C(N=C3NC4CCOC4)Cl)CO)O)O
InChI
1S/C15H20ClN5O5/c1-15(24)10(23)8(4-22)26-13(15)21-6-17-9-11(18-7-2-3-25-5-7)19-14(16)20-12(9)21/h6-8,10,13,22-24H,2-5H2,1H3,(H,18,19,20)/t7-,8-,10-,13-,15-/m1/s1
InChIKey
PKAKDOUFCOQHOJ-RAPCHXAISA-N
PubChem Compound ID
44447548
Target and Pathway
Target(s) Adenosine A2b receptor Target Info Inhibitor [529098]
Adenosine A1 receptor Target Info Inhibitor [529098]
Adenosine A3 receptor Target Info Inhibitor [529098]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Alcoholismhsa04022:cGMP-PKG signaling pathway
cAMP signaling pathway
Sphingolipid signaling pathway
Morphine addiction
NetPath Pathway TGF_beta_Receptor Signaling Pathway
TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
RANKL 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
Pathway Interaction Database C-MYB transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signalingWP80:Nucleotide GPCRs
GPCRs, Other
References
Ref 529098Bioorg Med Chem. 2008 Jan 1;16(1):336-53. Epub 2007 Sep 22.5'-Carbamoyl derivatives of 2'-C-methyl-purine nucleosides as selective A1 adenosine receptor agonists: affinity, efficacy, and selectivityfor A1 receptor from different species.
Ref 529098Bioorg Med Chem. 2008 Jan 1;16(1):336-53. Epub 2007 Sep 22.5'-Carbamoyl derivatives of 2'-C-methyl-purine nucleosides as selective A1 adenosine receptor agonists: affinity, efficacy, and selectivityfor A1 receptor from different species.

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