Drug Information

Drug General Information
Drug ID
D0NQ5I
Former ID
DNC005663
Drug Name
METRIFUDIL
Drug Type
Small molecular drug
Indication Discovery agent Terminated [467595], [546171]
Structure
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2D MOL

3D MOL
Formula
C18H21N5O4
InChI
InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
InChIKey
OOEMZCZWZXHBKW-SCFUHWHPSA-N
PubChem Compound ID
65710
PubChem Substance ID
8189879, 14978907, 43122466, 50225144, 57315681, 103342430, 103980561, 104334448, 128837402, 134342868, 135022928, 135650601, 140033691, 143178782, 144203738, 162247611, 180100930, 184547451, 198950982, 226789993
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [527473]
Adenosine A2a receptor Target Info Inhibitor [525578]
Adenosine A1 receptor Target Info Inhibitor [525578]
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 Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-187024:NGF-independant TRKA activation
G alpha (s) signalling events
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
Monoamine Transport
NGF signalling via TRKA from the plasma membrane
GPCR ligand binding
GPCR downstream signaling
References
Ref 467595(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 426).
Ref 546171Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006749)
Ref 525578J Med Chem. 1999 Sep 9;42(18):3463-77.N-substituted adenosines as novel neuroprotective A(1) agonists with diminished hypotensive effects.
Ref 527473J Med Chem. 2005 Mar 24;48(6):1745-58.(N)-methanocarba 2,N6-disubstituted adenine nucleosides as highly potent and selective A3 adenosine receptor agonists.

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