Drug Information

Drug General Information
Drug ID
D0D9AA
Former ID
DIB020527
Drug Name
NF449
Drug Type
Small molecular drug
Indication Discovery agent Investigative [467603]
Structure
Download
2D MOL
Formula
C41H24N6Na8O29S8
InChI
InChI=1S/C41H32N6O29S8.8Na/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76;;;;;;;;/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;;;/q;8*+1/p-8
InChIKey
KCBZSNWCUJBMHF-UHFFFAOYSA-F
PubChem Compound ID
4469
PubChem Substance ID
5636192, 11114059, 29223564, 79063999, 91746385, 162022832, 178101084
Target and Pathway
Target(s) P2X1 Target Info Antagonist [527030]
References
Ref 467603(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: 4267).
Ref 527030Structure-activity relationships of analogues of NF449 confirm NF449 as the most potent and selective known P2X1 receptor antagonist. Eur J Med Chem. 2004 Apr;39(4):345-57.

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