Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G2RB
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| Former ID |
DNC014663
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| Drug Name |
Di-Benzyloxycarbonyl-guanidino acetylryanodine
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| Synonyms |
CHEMBL416926; Di-Benzyloxycarbonyl-guanidino acetylryanodine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C44H52N4O14
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| Canonical SMILES |
CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1OC(=O)CN=C(NC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)O4)O)O)OC(=O)C8=CC=CN8)(C(C)C)O)C)O)C)O
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| InChI |
1S/C44H52N4O14/c1-25(2)41(55)33(61-32(50)29-17-12-20-45-29)42(56)37(4)24-40(54)38(41,5)44(42,57)43(62-40)31(26(3)18-19-39(37,43)53)60-30(49)21-46-34(47-35(51)58-22-27-13-8-6-9-14-27)48-36(52)59-23-28-15-10-7-11-16-28/h6-17,20,25-26,31,33,45,53-57H,18-19,21-24H2,1-5H3,(H2,46,47,48,51,52)/t26?,31-,33-,37+,38?,39?,40?,41?,42?,43?,44?/m1/s1
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| InChIKey |
NQGUDUOLYOZNBB-UTTPSZOSSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Ryanodine receptor 1 (RYR1) | Target Info | Inhibitor | [1] |
| Panther Pathway | Beta1 adrenergic receptor signaling pathway | |||
| Beta2 adrenergic receptor signaling pathway | ||||
| CCKR signaling map ST | ||||
| Reactome | Stimuli-sensing channels | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Amino- and guanidinoacylryanodines: basic ryanodine esters with enhanced affinity for the sarcoplasmic reticulum Ca(2+)-release channel. J Med Chem. 1993 May 14;36(10):1319-23. | |||
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