Drug Information

Drug General Information
Drug ID
D09IRV
Former ID
DNC006534
Drug Name
LUF-5957
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528192]
Structure
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2D MOL

3D MOL
Formula
C23H22N4
Canonical SMILES
C1CCC(CC1)C2=NC3=NC(=NC(=C3N2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)
InChIKey
IGJKVZBNIOTBGI-UHFFFAOYSA-N
PubChem Compound ID
11523232
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [528192]
Adenosine A1 receptor Target Info Inhibitor [528192]
Adenosine A3 receptor Target Info Inhibitor [528192]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholismhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Morphine addiction
NetPath Pathway 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 HIF-2-alpha transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and Adenosine
Reactome NGF-independant TRKA activation
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
Monoamine Transport
GPCRs, Class A Rhodopsin-like
NGF signalling via TRKA from the plasma membrane
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP80:Nucleotide GPCRs
GPCR downstream signalingWP80:Nucleotide GPCRs
GPCRs, Other
References
Ref 528192J Med Chem. 2006 May 18;49(10):2861-7.2,6-disubstituted and 2,6,8-trisubstituted purines as adenosine receptor antagonists.
Ref 528192J Med Chem. 2006 May 18;49(10):2861-7.2,6-disubstituted and 2,6,8-trisubstituted purines as adenosine receptor antagonists.

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