Drug Information

Drug General Information
Drug ID
D07DNX
Former ID
DNC012609
Drug Name
PD-115199
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527717]
Structure
Download
2D MOL

3D MOL
Formula
C22H32N6O4S
Canonical SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)<br />N(C)CCN(C)C
InChI
1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)
InChIKey
RWNRBPFXDDCJTH-UHFFFAOYSA-N
PubChem Compound ID
122978
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [527717]
Adenosine A1 receptor Target Info Inhibitor [527717]
Adenosine A2b receptor Target Info Inhibitor [527717]
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 addictionhsa04015:Rap1 signaling pathway
Alcoholism
NetPath Pathway TCR Signaling Pathway
RANKL Signaling PathwayNetPath_7:TGF_beta_Receptor 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 networkcmyb_pathway:C-MYB transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and AdenosinePW000446:Intracellular Signalling Through Adenosine Receptor A2b 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
Surfactant metabolism
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
References
Ref 527717J Med Chem. 1992 Jun 12;35(12):2342-5.(E)-1,3-dialkyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthines: potent and selective adenosine A2 antagonists.
Ref 527717J Med Chem. 1992 Jun 12;35(12):2342-5.(E)-1,3-dialkyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthines: potent and selective adenosine A2 antagonists.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.