Drug General Information
Drug ID
D0F5WY
Former ID
DNC007818
Drug Name
SCH-725737
Indication Discovery agent Investigative [529019]
Structure
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2D MOL

3D MOL

Formula
C61H102O30S
Canonical SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(OC(C3O)OC4CC5C6CCC(C6(C<br />C=C5C7(C4CC(CC7)OS(=O)(=O)O)C)C)C(C)(CCCC(C)C)O)C)O)OC8<br />C(C(C(C(O8)C)OC9C(C(C(CO9)O)O)O)O)OC1C(C(C(C(O1)C)O)O)O<br />)O)O)O)O
InChI
1S/C61H102O30S/c1-23(2)11-10-16-61(9,75)36-13-12-30-29-20-34(32-19-28(91-92(76,77)78)14-17-59(32,7)31(29)15-18-60(30,36)8)85-56-48(74)50(39(65)26(5)83-56)88-57-51(89-54-45(71)42(68)37(63)24(3)81-54)41(67)35(22-80-57)86-58-52(90-55-46(72)43(69)38(64)25(4)82-55)47(73)49(27(6)84-58)87-53-44(70)40(66)33(62)21-79-53/h15,23-30,32-58,62-75H,10-14,16-22H2,1-9H3,(H,76,77,78)/t24-,25-,26-,27-,28+,29+,30+,32-,33+,34+,35-,36+,37-,38+,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-,50+,51-,52-,53+,54+,55+,56+,57+,58+,59-,60+,61-/m1/s1
InChIKey
YGJYYDTWXBCDRA-MIRNQWDESA-N
PubChem Compound ID
Target and Pathway
Target(s) Voltage-gated sodium channel subunit alpha Nav1.8 Target Info Inhibitor [529019]
Reactome Interaction between L1 and Ankyrins
References
Ref 529019Bioorg Med Chem Lett. 2007 Oct 15;17(20):5543-7. Epub 2007 Aug 16.Novel steroidal saponins, Sch 725737 and Sch 725739, from a marine starfish, Novodinia antillensis.
Ref 529019Bioorg Med Chem Lett. 2007 Oct 15;17(20):5543-7. Epub 2007 Aug 16.Novel steroidal saponins, Sch 725737 and Sch 725739, from a marine starfish, Novodinia antillensis.

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