Drug Information

Drug General Information
Drug ID
D02KGR
Former ID
DNC014889
Drug Name
THAPSIGARGIN
Drug Type
Small molecular drug
Indication Discovery agent Preclinical [540789], [545050]
Structure
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2D MOL

3D MOL
Formula
C34H50O12
InChI
InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1
InChIKey
IXFPJGBNCFXKPI-FSIHEZPISA-N
PubChem Compound ID
446378
PubChem Substance ID
11752, 585750, 823040, 841978, 7890753, 10299881, 11538285, 11538289, 11538293, 16629402, 17405816, 24278762, 26759621, 36888818, 47364925, 47439992, 47662017, 50065053, 50111282, 53778368, 53789545, 57404742, 74382286, 79749191, 85788744, 87550950, 90341536, 91722570, 92303400, 92309917, 92310317, 99300831, 99302349, 99313650, 103059616, 103943629, 104038063, 104038064, 104038162, 104038165, 104170879, 104170881, 104179417, 104179423, 104179426, 104179431, 104179442, 104179447, 104234196, 104636384
Target and Pathway
Target(s) Sarcoplasmic/endoplasmic reticulum calcium ATPase Target Info Inhibitor [531021]
References
Ref 540789(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: 5351).
Ref 545050Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001971)
Ref 531021Bioorg Med Chem. 2010 Aug 1;18(15):5634-46. Epub 2010 Jun 16.Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase.

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