Drug Information

Drug General Information
Drug ID
D07MTB
Former ID
DIB018985
Drug Name
BMS compound 16
Synonyms
BPTU
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541128], [552124]
Structure
Download
2D MOL
Formula
C23H22F3N3O3
InChI
InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
InChIKey
AHFLGPTXSIRAQK-UHFFFAOYSA-N
PubChem Compound ID
11510579
PubChem Substance ID
16612492, 23640127, 76541748, 164132155, 164158412, 170485673, 178102433, 229196819, 246572030, 249807523
Target and Pathway
Target(s) P2Y purinoceptor 1 Target Info Antagonist [533195]
KEGG Pathway Rap1 signaling pathway
Neuroactive ligand-receptor interaction
Platelet activation
Reactome G alpha (q) signalling events
P2Y receptors
ADP signalling through P2Y purinoceptor 1
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Signal amplification
GPCR ligand binding
GPCR downstream signaling
References
Ref 541128(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: 5808).
Ref 552124Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists. J Med Chem. 2013 Feb 28;56(4):1704-14
Ref 533195Two disparate ligand-binding sites in the human P2Y1 receptor. Nature. 2015 Apr 16;520(7547):317-21.

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