Fedratinib - Small Molecule (ID:10141-101)

HMS LINCS ID: 10141-101
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)
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Batch Information for HMSL10141-101-1:

HMS LINCS Batch ID: 10141-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HW-005-20110701
Salt: 101
Molecular Formula: C27H36N6O3S
Molecular Weight: 524.68
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10141-101-1:

Date HMS QC Outcome Comment Files
11/14/2011 PASS None