Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H22ClF3N4O2 |
Molecular Weight | 502.916 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](NC(=O)CCC1=NC2=C(N=CC=C2)N1CC3=CC=C(OC(F)(F)F)C=C3)C4=CC=C(Cl)C=C4
InChI
InChIKey=HXYXHSDYBDFOFO-INIZCTEOSA-N
InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1
Molecular Formula | C25H22ClF3N4O2 |
Molecular Weight | 502.916 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 21:18:39 GMT 2025
by
admin
on
Wed Apr 02 21:18:39 GMT 2025
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Record UNII |
LYY3P2KA27
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Record Status |
Validated (UNII)
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Record Version |
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-
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1979939-16-6
Created by
admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
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C192808
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admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
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13154
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admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
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122199235
Created by
admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
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300000046391
Created by
admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
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LYY3P2KA27
Created by
admin on Wed Apr 02 21:18:39 GMT 2025 , Edited by admin on Wed Apr 02 21:18:39 GMT 2025
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PRIMARY |
Related Record | Type | Details | ||
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OFF-TARGET->INHIBITOR |
Inhibited the hERG tail current. Based on the
high potency of IOA-289 in human plasma and the relatively high plasma protein binding in human of 99%, these activities are not considered to be a significant safety concern.
IC50
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BINDER->LIGAND |
BINDING
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TARGET -> INHIBITOR |
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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