NVP-TAE684 - Small Molecule (ID:10024-101)

HMS LINCS ID: 10024-101
Name: NVP-TAE684
Alternative Names: TAE-684
LINCS ID: LSM-1024
PubChem CID: 16038120
ChEBI ID:
ChEMBL ID: 509032
Molecular Mass: 613.26
InChi: InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
InChi Key: QQWUGDVOUVUTOY-UHFFFAOYSA-N
SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-07-12

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
ABL1, ACVR1, ACVR1B, ACVRL1, Alk, ALK, AURKA, AURKC, AXL, BLK, BMPR1B, BTK, CAMK4, CAMKK1, CAMKK2, CHEK1, CHEK2, CLK1, CLK2, CLK4, COQ8B, CSF1R, DCLK1, DCLK2, DCLK3, DSTYK, EGFR, EPHA1, FER, FES, FGFR1, FLT3, FLT4, FRK, GAK, IGF1R, INSR, INSRR, IRAK1, IRAK4, ITK, JAK2, JAK3, LCK, LRRK2, LTK, MAP3K12, MAP3K13, MAP4K3, MAPK10, MAPK7, MARK1, MARK2, MARK3, MARK4, MELK, MERTK, MKNK2, MYO3A, MYO3B, NUAK1, NUAK2, OSR1, OXSR1, PAK3, PHKG1, PHKG2, PKD1, PLK1, PLK4, PRKAA1, PRKAA2, PRKD1, PRKD3, PTK2, PTK2B, PTK6, ROCK1, ROS1, RPS6KA2, RPS6KA3, RPS6KA6, SBK1, SBK3, SIK1, SIK1B, SIK2, SLK, STK10, STK32A, STK32B, STK32C, STK33, TAOK1, TAOK3, TEK, TIE1, TNK1, TNK2, TSSK1B, TSSK2, TTK, ULK1, ULK2, ULK3, YES1
2
(equivalent to 100 nM ≤ Kd < 1µM)
AAK1, ABL2, AIM1, AURKB, BMPR1A, BRSK1, BRSK2, CAMK1, CAMK1D, CAMK2A, CAMK2D, CAMK2G, CASK, CDK1, CDK16, CDK17, CDK4, CDK5, CDK7, CLK3, DAPK2, DDR1, EPHA2, EPHA4, EPHA6, EPHA7, EPHB1, EPHB2, EPHB3, EPHB4, EPHB6, ERBB2, ERBB4, ERN1, FGFR2, FGFR3, FGFR4, FGR, FLG, FLT1, FYN, GCK, GRK1, GRK5, GRK7, HCK, HIPK4, HUNK, IRAK3, JAK1, KDR, KIT, LIMK1, LYN, MAP2K1, MAP2K1, MAP2K2, MAP2K3, MAP2K4, MAP2K5, MAP3K11, MAP3K15, MAP3K2, MAP3K3, MAP3K7, MAP3K9, MAP4K1, MAP4K2, MAP4K4, MAP4K5, MAPK1, MAPK15, MAPK3, MAPK8, MAPK9, MET, MINK1, MST1, MST1R, MUSK, MYLK, NEK8, NEK9, NTRK1, NTRK2, PAK1, PAK5, PDGFRA, PDGFRB, PF3D7_0217500, PHKA2, PI4KB, PKD2, PKN1, PKN2, PLK3, PRKD2, PRKG1, PRKG2, RET, ROCK2, RPS6KA1, SNRK, SRC, SRC, SRMS, STK16, STK26, STK3, STK35, STK38, STK38L, STK39, STK4, SYK, TAOK2, TBK1, TEC, TGFBR1, TGFBR2, TXK, TYK2
3
(equivalent to 1µM ≤ Kd < 10 µM)
ACVR2A, ACVR2B, AKT1, AKT2, ANKK1, BMP2K, BMPR2, BMX, BUB1B-PAK6, CAMK1G, CAMK2B, CDC42BPA, CDC42BPB, CDC42BPG, CDC7, CDK15, CDK2, CDK8, CDK9, COQ8A, CSK, CSNK1A1, CSNK1A1L, CSNK1D, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, CSNK2A2, DAPK1, DAPK3, DDR2, DMPK, DYRK1A, DYRK1B, DYRK3, DYRK4, EIF2AK4, EPHA3, EPHA5, FPGT-TNNI3K, GRK4, GSK3A, GSK3B, HIPK1, HIPK2, HIPK3, ICK, IKBKE, Insr, KARS, LATS1, LATS2, LIMK2, MAP2K6, MAP3K1, MAP3K10, MAP3K19, MAP3K4, MAP3K6, MAPK12, MAPK13, MAPK14, MAPKAPK2, MAPKAPK5, MAST1, MATK, NEK2, NEK3, NEK4, NEK6, NEK7, NIM1K, NTRK3, PAK2, PAK4, PAK6, PDK1, PDPK1, PIM1, PIM2, PIM3, PIP4K2C, PIP5K1A, pknB, PLK2, PRKACA, PRKACB, PRKCD, PRKCE, PRKCG, PRKCI, PRKCQ, PRKX, PRPF4B, RIOK3, RIPK2, RIPK4, RPS6KA4, RPS6KB1, SIK3, SRPK1, SRPK3, STK17A, STK17B, STK24, STK25, STK36, TKT, TNIK, TNNI3K, TYRO3, WEE1, ZAP70
10
(confirmed non-binding)
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Batch Information for HMSL10024-101-1:

HMS LINCS Batch ID: 10024-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HM-035_TM-20100518
Salt: 101
Molecular Formula: C30H40ClN7O3S
Molecular Weight: 614.2
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10024-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10024-101-1_LCMS.pdf
06/06/2011 PASS None