Drug General Information
Drug ID
D0KF2P
Former ID
DIB019490
Drug Name
compound 4
Drug Type
Small molecular drug
Indication Discovery agent Investigative [532047], [541198]
Structure
Download
2D MOL
Formula
C29H37N5O9
InChI
InChI=1S/C29H37N5O9/c1-3-41-27(39)29(13-8-14-29)43-23-19-22(31-34(23)20-9-6-5-7-10-20)25(37)30-21(11-12-24(35)36)26(38)32-15-17-33(18-16-32)28(40)42-4-2/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H,30,37)(H,35,36)/t21-/m0/s1
InChIKey
HPSHQEAEJMOGDO-NRFANRHFSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) P2Y purinoceptor 12 Target Info Antagonist [532047]
KEGG Pathway Platelet activation
Reactome P2Y receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Signal amplification
GPCR ligand binding
GPCR downstream signaling
References
Ref 532047Identification of high-affinity P2Y??? antagonists based on a phenylpyrazole glutamic acid piperazine backbone. J Med Chem. 2012 Oct 25;55(20):8615-29.
Ref 541198(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: 5905).
Ref 532047Identification of high-affinity P2Y??? antagonists based on a phenylpyrazole glutamic acid piperazine backbone. J Med Chem. 2012 Oct 25;55(20):8615-29.

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