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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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
10141-101-1 Haoyuan chemexpress HW-005-20110701
10141-101-2 Haoyuan chemexpress HY-10409-20130415