Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C26H24F3N7O3S |
| Molecular Weight | 571.574 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
FC(F)(F)OC1=CC(CC(=O)NC2=NN=C(CCCCC3=NN=C(NC(=O)CC4=NC=CC=C4)S3)C=C2)=CC=C1
InChI
InChIKey=PRAAPINBUWJLGA-UHFFFAOYSA-N
InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
| Molecular Formula | C26H24F3N7O3S |
| Molecular Weight | 571.574 |
| 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: CHEMBL2146302 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26988803 |
180.0 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:29:37 GMT 2025
by
admin
on
Mon Mar 31 22:29:37 GMT 2025
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| Record UNII |
U6CL98GLP4
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| Record Status |
Validated (UNII)
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1439399-58-2
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U6CL98GLP4
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DB15232
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C114381
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SUB193630
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10815
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GH-190
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100000178107
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
CB-839 exhibited time dependent and slowly reversible kinetics.
ALLOSTERIC INHIBITOR
IC50
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SALT/SOLVATE -> PARENT |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |