Tofacitinib - Small Molecule (ID:10226-999)
HMS LINCS ID: | 10226-999 |
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: | 2016-07-12 |
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) |
Batch Information for HMSL10226-999-4:
HMS LINCS Batch ID: | 10226-999-4 |
Provider: | |
Provider Batch ID: | |
Salt: | 999 |
Molecular Formula: | |
Molecular Weight: | |
Purity: | |
Purification Method: | |
Chemical Synthesis Reference: | |
Comments: | |
Date Publicly Available: | 2016-05-27 |
Most Recent Update: | 2016-12-02 |
(Kd <100 nM)