Ruxolitinib - Small Molecule (ID:10138-105)
| HMS LINCS ID: |
10138-105
|
| Name: | Ruxolitinib |
| Alternative Names: | |
| LINCS ID: | LSM-1139 |
| PubChem CID: | 25126798 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 306.16 |
| InChi: | InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 |
| InChi Key: | HFNKQEVNSGCOJV-OAHLLOKOSA-N |
| SMILES: | C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-07-12 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
CAMK2A, CAMK2D, DAPK1, DAPK2, DAPK3, DCLK1, GAK, JAK1, JAK2, JAK3, LRRK2, MAP3K2, ROCK1, ROCK2, TYK2 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | AAK1, ANKK1, BMP2K, BMPR2, CAMK1, CAMK1D, CAMK2B, CAMK2G, CLK2, CLK4, DCLK2, DCLK3, DYRK1A, GRK1, GRK5, GRK7, IRAK1, LTK, MAP2K3, MAP3K19, MAP3K3, MAP3K7, MARK2, MAST1, MKNK2, MYLK, NTRK2, NTRK3, NUAK2, PLK1, PLK3, PLK4, PRKACA, PRKCE, PRKG2, RET, RPS6KA1, RPS6KA2, RPS6KA4, RPS6KA5, RPS6KA6, STK16, TAOK2, TAOK3, TNK2, TTK, ULK1, ULK2 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, ACVR1, AIM1, ALK, AURKA, AURKB, AURKC, BMPR1B, BRAF, BTK, BUB1B-PAK6, CAMK1G, CASK, CDK5, CDK7, CDK8, CDK9, CSF1R, CSNK1A1, CSNK2A1, CSNK2A2, DMPK, DYRK1B, DYRK2, EPHA3, EPHB6, ERN1, FGFR1, FLG, FLT1, FYN, GRK4, GSK3A, GSK3B, HIPK1, HIPK2, HIPK3, IGF1R, IKBKB, IKBKE, KDR, KIT, LCK, MAP2K1, MAP2K2, MAP2K4, MAP3K1, MAP3K15, MAP4K2, MAP4K4, MAPK14, MAPK8, MAPK9, MELK, MST1R, NEK3, NEK7, NTRK1, OSR1, OXSR1, PAK4, PAK5, PAK6, PDGFRA, PDGFRB, PHKG1, PHKG2, PI4KB, PIM1, pknB, PLK2, PRKAA1, PRKCQ, PRKD3, PRKX, PTK2, RIOK1, RIOK2, RIOK3, RIPK4, RPS6KA3, SBK1, SBK3, SIK3, SRPK1, SRPK3, STK17A, STK17B, STK25, STK26, STK39, TAOK1, TBK1, TYRO3, ULK3, VRK2 |
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 |
| 20237 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 1 of 15: Cell count and relative growth within biological replicate 1. | Microscopy/Imaging |
| 20238 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 2 of 15: Cell count and relative growth within biological replicate 2. | Microscopy/Imaging |
| 20239 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 3 of 15: Cell count and relative growth within biological replicate 3. | Microscopy/Imaging |
| 20240 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 4 of 15: Mean cell count and mean growth rate across biological replicate 1. | Microscopy/Imaging |
| 20241 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 5 of 15: Mean cell count and mean growth rate across biological replicate 2. | Microscopy/Imaging |
| 20242 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 6 of 15: Mean cell count and mean growth rate across biological replicate 3. | Microscopy/Imaging |
| 20243 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 7 of 15: Mean cell count and mean growth rate across all replicates. | Microscopy/Imaging |
| 20245 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 8 of 15: Cell count and normalized growth rate inhibition values within biological replicate 1. | Microscopy/Imaging |
| 20246 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 9 of 15: Cell count and normalized growth rate inhibition values within biological replicate 2. | Microscopy/Imaging |
| 20247 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 10 of 15: Cell count and normalized growth rate inhibition values within biological replicate 3. | Microscopy/Imaging |
| 20248 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 11 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 1. | Microscopy/Imaging |
| 20249 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 12 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 2. | Microscopy/Imaging |
| 20250 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 13 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 3. | Microscopy/Imaging |
| 20251 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 14 of 15: Mean cell count and mean normalized growth rate inhibition values across all replicates. | Microscopy/Imaging |
| 20252 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 15 of 15: Calculated dose-response metrics. | Analysis |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10138-105-1 | Haoyuan chemexpress | HM-031_7B-20100612 |
| 10138-105-4 | MedChem Express | 12260 |
(Kd <100 nM)