Drug Information

Drug General Information
Drug ID
D05TKW
Former ID
DIB018005
Drug Name
alpha-ketothiazole analogue 36
Drug Type
Small molecular drug
Indication Alzheimer disease [ICD9: 331; ICD10:G30] Clinical trial [541673]
Structure
Download
2D MOL
Formula
C29H43BrN10O5S
InChI
InChI=1S/C29H43BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,38,43)(H,40,42)(H4,31,32,35)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1
InChIKey
BGBJLVHKOHYLME-MNAPGUCWSA-N
PubChem Compound ID
16098914
PubChem Substance ID
24745513, 40067143, 46509414, 103503906, 137244761, 178103163
Target and Pathway
Target(s) mRNA of Factor XI Target Info Inhibitor [529193]
KEGG Pathway Complement and coagulation cascades
PathWhiz Pathway Coagulation
Reactome Intrinsic Pathway of Fibrin Clot Formation
WikiPathways Human Complement System
Blood Clotting Cascade
Formation of Fibrin Clot (Clotting Cascade)
References
Ref 541673(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: 6549).
Ref 529193Bioorg Med Chem. 2008 Feb 15;16(4):1562-95. Epub 2007 Nov 6.Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality.

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