R406 - Small Molecule (ID:10040-101)

HMS LINCS ID: 10040-101
Name: R406
Alternative Names:
LINCS ID: LSM-1040
PubChem CID: 11213558
ChEBI ID:
ChEMBL ID:
Molecular Mass: 470.17
InChi: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
InChi Key: NHHQJBCNYHBUSI-UHFFFAOYSA-N
SMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
AURKC, AXL, BLK, CDC7, COQ8B, CSF1R, CSNK2A1, CSNK2A2, DAPK1, DAPK2, DAPK3, DDR1, DDR2, EIF2AK4, EPHA1, EPHA7, FER, FGFR1, FGFR2, FGFR3, FGR, FLT1, FLT3, FLT4, FRK, FYN, IKBKB, IKBKE, IRAK1, IRAK3, JAK1, JAK2, JAK3, KDR, Kit, KIT, LCK, LRRK2, LYN, MAP2K5, MAP3K10, MAP3K11, MAP3K19, MAP3K2, MAP3K7, MAP3K9, MAPK10, MAPK8, MAPK9, MARK4, MKNK2, NEK5, NEK6, NEK7, NEK8, NEK9, NUAK1, NUAK2, PAK4, PAK5, PDGFRA, PDGFRB, PDK1, PDPK1, pknB, PLK2, PLK3, PLK4, PTK2B, RET, ROS1, RPS6KA4, SBK1, SIK1, SIK1B, SIK2, SLK, SRC, STK10, STK16, STK17A, STK17B, SYK, TBK1, TIE1, TKT, TNK1, TNK2, ULK1, ULK2, ULK3, YES1, ZAP70
2
(equivalent to 100 nM ≤ Kd < 1µM)
AAK1, ABL1, ABL2, AIM1, ALK, ANKK1, AURKA, AURKB, BMPR1B, BMX, BRAF, BTK, BUB1B-PAK6, CAMK1, CAMK1D, CAMK1G, CAMK2G, CDK1, CDK17, CHUK, CIT, CLK4, CSK, DCLK3, DYRK1A, DYRK2, EGFR, EIF2AK2, EPHA2, EPHA3, EPHA4, EPHA5, EPHA6, EPHB1, EPHB2, EPHB4, EPHB6, ERBB4, FES, FGFR4, FLG, FPGT-TNNI3K, GAK, GRK1, GRK4, GSK3B, HCK, HIPK1, INSR, IRAK4, ITK, LIMK1, LTK, MAP2K1, MAP2K2, MAP2K3, MAP2K4, MAP2K6, MAP3K3, MAP3K4, MAP4K2, MAPK12, MAPK13, MAPK15, MARK1, MARK2, MERTK, MET, MKNK1, MST1R, MUSK, MYLK4, NEK1, NEK11, NEK2, NEK3, NEK4, NIM1K, NTRK1, NTRK2, NTRK3, PAK1, PAK2, PAK3, PAK6, PHKG2, PI4KB, PIP4K2C, PIP5K1C, PKN1, PLK1, PRKAA1, PRKAA2, PRKACA, PRKACB, PRKCG, PTK2, PTK6, RAF1, RIOK1, RIOK3, RIPK2, RIPK4, ROCK1, ROCK2, RPS6KA5, SBK3, SRMS, SRPK1, SRPK3, STK33, STK36, TAOK1, TAOK2, TEK, TESK1, TGFBR2, TLK1, TLK2, TNNI3K, TSSK1B, TXK, TYK2, WEE1
3
(equivalent to 1µM ≤ Kd < 10 µM)
ACVR1, ACVR1B, AKT1, AKT2, BMP2K, CAMK2A, CAMK2B, CAMK2D, CAMKK2, CDK2, CDK5, CDK7, CDK8, CDK9, CDKL1, CDKL2, CHEK1, CHEK2, CLK1, CLK2, CLK3, COQ8A, CSNK1A1, CSNK1D, CSNK1G1, CSNK1G2, CSNK1G3, DYRK1B, DYRK4, EPHA8, ERBB2, ERN1, GRK5, GRK7, GSK3A, HIPK2, HIPK3, HIPK4, IGF1R, INSRR, LATS2, LIMK2, MAP4K1, MAP4K3, MAP4K4, MAP4K5, MAPK1, MAPK14, MAPK3, MAPKAPK2, MAPKAPK5, MARK3, MATK, MELK, MYLK, OSR1, OXSR1, PIK3CD, PIM1, PIM2, PIM3, PIP4K2B, PIP5K1A, PKD2, PKN2, PRKCD, PRKCI, PRKCQ, PRKCZ, PRKD2, PRKD3, PRKG1, PRKG2, PRKX, RIOK2, RPS6KA1, RPS6KA3, RPS6KB1, SGK2, STK11, STK25, STK3, STK32A, STK35, STK38, TAOK3, TEC, TGFBR1, TNIK, TSSK2, TTK, TYRO3, WEE2
10
(confirmed non-binding)
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Batch Information for HMSL10040-101-1:

HMS LINCS Batch ID: 10040-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HY-11108-20101118
Salt: 101
Molecular Formula: C22H23FN6O5
Molecular Weight: 470.45
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10040-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10040-101-1_LCMS.pdf
06/06/2011 PASS None