Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H12ClF3N5O3S.Na |
Molecular Weight | 517.844 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(=C2)C(F)(F)F)=C(N=C1)C(=O)C3=C4C=CNC4=NC=N3
InChI
InChIKey=GJTHOZVZZCTXOH-UHFFFAOYSA-M
InChI=1S/C20H13ClF3N5O3S.Na/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16;/h2-9H,1H3,(H2,25,27,28,29,30);/q;+1/p-1
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4015 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23986513 |
2.3 nM [Kd] |
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Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
604317
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X39CM70JTQ
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137552094
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JK-58
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C180646
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1100319-36-5
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300000044590
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ACTIVE MOIETY
SUBSTANCE RECORD