R406 - Small Molecule (ID:10040-999)
HMS LINCS ID: | 10040-999 |
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: | 2016-07-12 |
Target Affinity:
(see Study 20000)Target Affinity Spectrum Value | HUGO Gene Name |
---|---|
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) |
Batch Information for HMSL10040-999-2:
HMS LINCS Batch ID: | 10040-999-2 |
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 |
(Kd <100 nM)