Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H13ClF3N5O3S |
| Molecular Weight | 495.862 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CN=C(C(=O)C2=C3C=CNC3=NC=N2)C(NS(=O)(=O)C4=CC(=C(Cl)C=C4)C(F)(F)F)=C1
InChI
InChIKey=LUUMLYXKTPBTQR-UHFFFAOYSA-N
InChI=1S/C20H13ClF3N5O3S/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/h2-9,29H,1H3,(H,25,27,28)
| Molecular Formula | C20H13ClF3N5O3S |
| Molecular Weight | 495.862 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL4015 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23986513 |
2.3 nM [Kd] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:55:46 GMT 2025
by
admin
on
Mon Mar 31 21:55:46 GMT 2025
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| Record UNII |
380F68J5PH
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| Record Status |
Validated (UNII)
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| Record Version |
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SUB197614
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DTXSID301351932
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JK-57
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100000183240
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25134303
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C175798
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380F68J5PH
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CHEMBL3545286
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
BINDING
Kd
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
Inhibited CCL2-induced chemotaxis of purified human blood monocytes
INHIBITOR
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
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ACTIVE MOIETY |