Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C93H136N10O24 |
| Molecular Weight | 1778.1275 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2C[C@@H](O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N5CCC6=C(C5)C=CC(CN7N=C(C8=C7N=CN=C8N)C9=CC%10=C(OC(N)=N%10)C=C9)=C6
InChI
InChIKey=IUTYTXDIGUNPAA-GKVGALOGSA-N
InChI=1S/C93H136N10O24/c1-59-16-12-11-13-17-60(2)77(113-8)54-71-24-19-65(7)93(112,127-71)86(108)89(109)102-30-15-14-18-73(102)90(110)124-78(55-74(104)61(3)49-64(6)84(107)85(115-10)83(106)63(5)48-59)62(4)50-66-21-25-76(79(52-66)114-9)126-92(111)96-29-33-117-35-37-119-39-41-121-43-45-123-47-46-122-44-42-120-40-38-118-36-34-116-32-28-80(105)101-31-27-68-51-67(20-22-70(68)57-101)56-103-88-81(87(94)97-58-98-88)82(100-103)69-23-26-75-72(53-69)99-91(95)125-75/h11-13,16-17,20,22-23,26,49,51,53,58-59,61-63,65-66,71,73-74,76-79,84-85,104,107,112H,14-15,18-19,21,24-25,27-48,50,52,54-57H2,1-10H3,(H2,95,99)(H,96,111)(H2,94,97,98)/b13-11+,16-12+,60-17+,64-49+/t59-,61-,62-,63-,65-,66+,71+,73+,74-,76-,77+,78+,79-,84-,85+,93-/m1/s1
| Molecular Formula | C93H136N10O24 |
| Molecular Weight | 1778.1275 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 08:58:40 GMT 2025
by
admin
on
Wed Apr 02 08:58:40 GMT 2025
|
| Record UNII |
S6PL6DS4XK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
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| Code System | Code | Type | Description | ||
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C179171
Created by
admin on Wed Apr 02 08:58:40 GMT 2025 , Edited by admin on Wed Apr 02 08:58:40 GMT 2025
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S6PL6DS4XK
Created by
admin on Wed Apr 02 08:58:40 GMT 2025 , Edited by admin on Wed Apr 02 08:58:40 GMT 2025
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2382768-62-7
Created by
admin on Wed Apr 02 08:58:40 GMT 2025 , Edited by admin on Wed Apr 02 08:58:40 GMT 2025
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162640850
Created by
admin on Wed Apr 02 08:58:40 GMT 2025 , Edited by admin on Wed Apr 02 08:58:40 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Bisteric inhibitor of Ribosomal protein S6 kinase beta-1 and eukaryotic initiation factor 4E-binding protein 1 phosphorylation.
IN-VITRO
IC50
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OFF TARGET->NON-INHIBITOR |
16% inhibition at 10 micromolar
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TARGET -> INHIBITOR |
Bisteric inhibitor of pS6K phosphoryiation
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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