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
1
(Kd <100 nM)
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)
(Click to show)

Batch Information for HMSL10141-999-3:

HMS LINCS Batch ID: 10141-999-3
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