| Stereochemistry | |
| Molecular Formula | C32H30F2N4O4 |
| Molecular Weight | 572.6018 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | ATROPISOMERISM AT TWO SITES |
SHOW SMILES / InChI
SMILES
CN1C(=O)N(C(=O)C2=C1C(F)=CC=C2)C3=CC=CC(=C3C)C4=C5C6=C(C[C@H](CC6)C(C)(C)O)NC5=C(C=C4F)C(N)=O
InChI
InChIKey=ZRYMMWAJAFUANM-INIZCTEOSA-N
InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1
| Molecular Formula | C32H30F2N4O4 |
| Molecular Weight | 572.6018 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
|
|
TARGET -> INHIBITOR |
COMPETITIVE INHIBITOR
IC50
0.5 NANOMOLAR (average) |
||
|
|
TARGET -> INHIBITOR |
human whole
blood assay (hWB) measuring BCR stimulated CD69
expression on B cells
COMPETITIVE INHIBITOR
IC50
90 NANOMOLAR (average) WBC CD69 EXPRESSION |
||
|
|
BINDER->LIGAND |
BINDING
99.1 % (average) |
||
|
|
OFF-TARGET->INHIBITOR |
IC50
|
||
|
|
TARGET -> INHIBITOR |
RAMOS CELLS
COMPETITIVE INHIBITOR
IC50
9 NANOMOLAR (average) B-CELLS (RAMOS) Ca2+ FLUX |
Showing 1 to 5 of 5 entries
