Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C11H18N5O13P3S |
| Molecular Weight | 553.273 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSC1=NC2=C(N=CN2[C@@H]3O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C(N)=N1
InChI
InChIKey=XNOBOKJVOTYSJV-HGOUYRHRSA-N
InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6+,7+,10+/m0/s1
| Molecular Formula | C11H18N5O13P3S |
| Molecular Weight | 553.273 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL4315 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11985476 |
34.0 nM [EC50] | ||
Target ID: CHEMBL3321651 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12815166 |
20.03 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:26:53 GMT 2025
by
admin
on
Mon Mar 31 22:26:53 GMT 2025
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| Record UNII |
Y37441OBL1
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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6604053
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43170-89-4
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Y37441OBL1
Created by
admin on Mon Mar 31 22:26:53 GMT 2025 , Edited by admin on Mon Mar 31 22:26:53 GMT 2025
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