Tofacitinib - Small Molecule (ID:10226-108)
| HMS LINCS ID: |
10226-108
|
| Name: | Tofacitinib |
| Alternative Names: | Tasocitinib; CP-690550; Xeljanz |
| LINCS ID: | LSM-1227 |
| PubChem CID: | 9926791 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 312.17 |
| InChi: | InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 |
| InChi Key: | UJLAWZDWDVHWOW-YPMHNXCESA-N |
| SMILES: | C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
DCLK3, JAK1, JAK2, JAK3, TYK2 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | LCK, LRRK2, NUAK2, PKN1, ROCK1, ROCK2, RPS6KA2, RPS6KA6, TNK1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, BMP2K, CAMK1, CAMK1D, CAMK2A, CAMK2D, DCLK1, DMPK, FYN, GRK7, Jak2, MAP4K2, MKNK2, PKN2, pknB, PRKCD, RET, RPS6KA1, ULK3 |
10 (confirmed non-binding) |
Datasets:
| HMS Dataset ID | Dataset Title | HMS Dataset Type |
|---|---|---|
| 20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
| 20369 | Binding affinity of 6 small molecule JAK inhibitors for 5 kinases | Affinity Data |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10226-108-1 | Selleck Chemicals | S500104 |
| 10226-108-3 | MedChem Express | 08315 |
(Kd <100 nM)