Stereochemistry | ABSOLUTE |
Molecular Formula | C21H20F7N3O4S |
Molecular Weight | 543.455 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](OC1=C(C=C(C=C1)S(C)(=O)=O)C(=O)N2CCN(CC2)C3=C(F)C=C(C=N3)C(F)(F)F)C(F)(F)F
InChI
InChIKey=YUUGYIUSCYNSQR-LBPRGKRZSA-N
InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1
Bitopertin is a Glycine transporter type 1 inhibitor which was developed by Hoffmann-La Roche for the treatment of patients with schizophrenia. The drug was shown to be potent in vitro, however it failed to meet primary endpoints in phase III. Bitopertin was also tested for the treatment of obsessive-compulsive disorder, but the development stopped in phase II.