Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0WT2Z
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| Former ID |
DNC014654
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| Drug Name |
(O10eq)-Benzyloxycarbonyl-beta-alanylryanodine
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| Synonyms |
CHEMBL435162; (O10eq)-Benzyloxycarbonyl-beta-alanylryanodine
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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 |
C36H46N2O12
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| Canonical SMILES |
CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1OC(=O)CCNC(=O)OCC6=CC=CC=C6)O4)O)O)OC(=O)C7=CC=CN7)(C(C)C)O)C)O)C)O
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| InChI |
1S/C36H46N2O12/c1-20(2)33(44)27(49-26(40)23-12-9-16-37-23)34(45)29(4)19-32(43)30(33,5)36(34,46)35(50-32)25(21(3)13-15-31(29,35)42)48-24(39)14-17-38-28(41)47-18-22-10-7-6-8-11-22/h6-12,16,20-21,25,27,37,42-46H,13-15,17-19H2,1-5H3,(H,38,41)/t21?,25-,27-,29+,30?,31?,32?,33?,34?,35?,36?/m1/s1
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| InChIKey |
YNAMTGCWRIKJBG-IQCGZQJLSA-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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