Drug Information

Drug General Information
Drug ID
D0SH0M
Former ID
DIB019217
Drug Name
compound 12
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530422], [542018]
Formula
C16H11NO5
InChI
InChI=1S/C16H11NO5/c1-9-2-4-10(5-3-9)22-11-6-7-12-13(8-11)15(19)17(14(12)18)16(20)21/h2-8H,1H3,(H,20,21)
InChIKey
QSPCKQSNISDWOH-UHFFFAOYSA-N
PubChem Compound ID
73755253
PubChem Substance ID
178103568
Target and Pathway
Target(s) Lysophosphatidate-3 receptor Target Info Antagonist [530422]
KEGG Pathway Rap1 signaling pathway
Neuroactive ligand-receptor interaction
PI3K-Akt signaling pathway
Pathways in cancer
Pathway Interaction Database LPA receptor mediated events
Reactome G alpha (q) signalling events
G alpha (i) signalling events
Lysosphingolipid and LPA receptors
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
References
Ref 530422Structure-based drug design identifies novel LPA3 antagonists. Bioorg Med Chem. 2009 Nov 1;17(21):7457-64.
Ref 542018(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: 6989).
Ref 530422Structure-based drug design identifies novel LPA3 antagonists. Bioorg Med Chem. 2009 Nov 1;17(21):7457-64.

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