Fedratinib - Small Molecule (ID:10141-999)
| HMS LINCS ID: |
10141-999
|
| Name: | Fedratinib |
| Alternative Names: | SAR 302503; SAR-302503; SAR302503; TG 101348; Tg-101348; TG101348 |
| LINCS ID: | LSM-1142 |
| PubChem CID: | 16722836 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 524.26 |
| InChi: | InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) |
| InChi Key: | JOOXLOJCABQBSG-UHFFFAOYSA-N |
| SMILES: | CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2017-05-09 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
AAK1, ABL1, BMP2K, DAPK1, DAPK2, DAPK3, DCLK3, FGR, FLT3, FYN, GAK, JAK2, JAK3, LCK, MAP3K19, MAPK7, NUAK1, NUAK2, PDGFRB, PIP5K1A, PLK4, PTK2, RIOK3, SIK1, SIK1B, SIK2, SRC, STK16, STK17B, TBK1, TNK2, ULK2 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ABL2, ACVR1, AIM1, ALK, AURKB, AURKC, AXL, BLK, BMPR1B, BTK, CAMK1D, CAMK2A, CAMK2D, CAMK2G, CDK17, CDK7, CHUK, CIT, COQ8B, CSF1R, CSNK2A1, CSNK2A2, DCLK1, DCLK2, DDR2, EIF2AK4, EPHA1, EPHB6, FES, FGFR1, FGFR2, FGFR3, FLG, FRK, GRK4, HIPK1, HIPK4, IKBKB, IKBKE, INSR, IRAK1, IRAK3, ITK, JAK1, KIT, LIMK1, LRRK2, LYN, MAP2K5, MAP3K13, MAP3K2, MAP3K20, MAPK10, MAPK15, MAPK8, MAPK9, MARK1, MARK3, MARK4, MERTK, MKNK2, MUSK, MYLK, MYLK4, NEK3, NEK5, NEK6, NEK7, NEK8, NEK9, NTRK1, PHKG1, PIP4K2B, pknB, PLK1, PRPF4B, PTK2B, RET, RIOK1, ROS1, RPS6KA1, RPS6KA4, RPS6KA6, SBK1, SLK, SNRK, SRPK1, SRPK2, SRPK3, STK11, STK17A, STK33, STK36, TAOK2, TIE1, TKT, TNK1, TTK, TYK2, ULK1, ULK3, WEE1, YES1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ACVR1B, ACVRL1, ANKK1, AURKA, BMPR2, BMX, BRAF, BUB1B-PAK6, C8orf44-SGK3, CAMK1, CAMK1G, CAMK2B, CAMKK1, CAMKK2, CASK, CDK14, CDK15, CDK16, CDK18, CDK4, CDK9, CDKL2, CDKL5, CHEK1, CLK1, CLK2, CLK4, COQ8A, CSK, DDR1, DMPK, DSTYK, DYRK1B, EGFR, EIF2AK1, EIF2AK2, EPHA2, EPHA3, EPHA4, EPHA6, EPHA7, EPHA8, EPHB1, EPHB2, EPHB4, ERBB4, ERN1, FER, FGFR4, FLT1, FLT4, FPGT-TNNI3K, GRK7, HCK, HIPK2, HIPK3, ICK, IGF1R, INSRR, IRAK4, KDR, LATS2, LIMK2, LTK, MAP2K1, MAP2K2, MAP2K3, MAP2K4, MAP3K10, MAP3K11, MAP3K12, MAP3K3, MAP3K4, MAP3K7, MAP3K9, MAP4K1, MAP4K2, MAP4K3, MAPK6, MARK2, MATK, MELK, MET, MINK1, MKNK1, MYLK2, MYLK3, NEK1, NEK11, NEK2, NEK4, NIM1K, NTRK2, NTRK3, PAK1, PAK2, PAK4, PAK5, PAK6, PDGFRA, PF3D7_0217500, PHKG2, PI4KB, PIK3CA, PIK3CG, PIP4K2C, PKN1, PLK2, PLK3, PRKAA1, PRKAA2, PRKCE, PRKD3, PRKG1, PRKG2, PTK6, RIOK2, RIPK1, RIPK2, RIPK4, ROCK1, ROCK2, RPS6KA2, RPS6KA3, RPS6KA5, RPS6KB1, SBK3, SGK3, SIK3, SRMS, STK10, STK25, STK26, STK38, STK39, SYK, TAOK1, TAOK3, TEK, TESK1, TGFBR2, TLK1, TLK2, TNNI3K, TSSK1B, TXK, WEE2, ZAP70 |
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 |
| 20174 | TG-101348 KINOMEscan | KINOMEscan |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10141-999-3 |
(Kd <100 nM)