| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H22F3N5O2 |
| Molecular Weight | 433.4269 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H]1CN(CC2=CC3=C(C=C2)C(=CC(=N3)C(N)=O)C4=CN(C)N=C4)C[C@@H](O1)C(F)(F)F
InChI
InChIKey=KTYWQIWONODXST-CWTRNNRKSA-N
InChI=1S/C21H22F3N5O2/c1-12-8-29(11-19(31-12)21(22,23)24)9-13-3-4-15-16(14-7-26-28(2)10-14)6-18(20(25)30)27-17(15)5-13/h3-7,10,12,19H,8-9,11H2,1-2H3,(H2,25,30)/t12-,19-/m1/s1
| Molecular Formula | C21H22F3N5O2 |
| Molecular Weight | 433.4269 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
|
|
OFF TARGET->WEAK INHIBITOR |
22 MICROMOLAR (average) |
||
|
|
BINDER->LIGAND |
BINDING
97.5 % (average) |
||
|
|
TARGET->NEGATIVE ALLOSTERIC MODULATOR (NAM) |
Complete selectivity against mGluR1,3,4,5,6,8 (IC50 > 10000 nM). Flipr Assay
IC50
9 NANOMOLAR (average) |
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