Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02KGR
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| Former ID |
DNC014889
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| Drug Name |
THAPSIGARGIN
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| Synonyms |
thapsigargin; 67526-95-8; UNII-Z96BQ26RZD; Z96BQ26RZD; CHEMBL96926; CHEBI:9516; OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OXY]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| Formula |
C34H50O12
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| Canonical SMILES |
CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O
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| 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
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| InChIKey |
IXFPJGBNCFXKPI-FSIHEZPISA-N
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| CAS Number |
CAS 67526-95-8
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| PubChem Compound ID | ||||
| 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
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| ChEBI ID |
CHEBI:9516
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Sarcoplasmic/endoplasmic reticulum calcium ATPase (ATP2A) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase. Bioorg Med Chem. 2010 Aug 1;18(15):5634-46. | |||
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