Tozasertib - Small Molecule (ID:10021-101)
HMS LINCS ID: | 10021-101 |
Name: | Tozasertib |
Alternative Names: | VX680; MK-0457 |
LINCS ID: | LSM-1021 |
PubChem CID: | 5494449 |
ChEBI ID: | |
ChEMBL ID: | 572878 |
Molecular Mass: | 464.21 |
InChi: | InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) |
InChi Key: | GCIKSSRWRFVXBI-UHFFFAOYSA-N |
SMILES: | CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5 |
Relevant Citations: | |
Comments: | |
Date Publicly Available: | |
Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)Target Affinity Spectrum Value | HUGO Gene Name |
---|---|
ABL1, ABL2, AIM1, AURKA, AURKAIP1, AURKB, AURKC, BCR, BMP2K, CDKL2, DDR1, EPHB6, FLT3, LCK, MAP3K19, MAP4K1, MAP4K5, MYLK2, MYLK3, NTRK1, PLK4, RET, RIPK1, SLK, SRPK1, TAOK3, TNK1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | AAK1, AXL, CDK11A, CDK11B, CDK16, CDKL3, DDR2, EPHA2, EPHA8, FGFR1, FGFR2, FGFR3, FGR, FLG, FLT1, FYN, GRK4, IGF1R, INSR, INSRR, ITK, JAK2, JAK3, KIT, LYN, MAP2K5, MAP3K11, MAP3K12, MAP3K13, MAP3K9, MAP4K3, MELK, MET, MST1, MUSK, NTRK2, NTRK3, NUAK1, NUAK2, PDGFRB, PIP4K2B, PIP5K1A, PRKAA2, RIOK1, RIOK2, RIOK3, RIPK4, ROS1, SBK3, SRC, SRC, SRPK2, SRPK3, STK10, STK16, STK3, STK4, TAOK1, TAOK2, TBK1, TEK, TIE1, TKT, ULK3, YES1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ACVR1, ACVRL1, ALK, ANKK1, BLK, BMPR1B, BMPR2, BMX, BRSK1, BTK, BUB1B-PAK6, CAMK1, CAMK1D, CAMK1G, CAMKK1, CDC7, CDK1, CDK17, CDKL5, CHEK1, CHEK2, CHUK, CSF1R, CSK, CSNK1A1, CSNK2A1, CSNK2A2, DAPK3, DCLK3, DYRK1A, DYRK3, EEF2K, EIF2AK4, EPHA1, EPHA3, EPHA4, EPHA6, EPHB1, EPHB2, EPHB4, ERBB3, ERBB4, ERN1, FER, FES, FGFR4, FLT4, FRK, GAK, GRK5, HCK, HIPK2, HIPK4, HUNK, IKBKB, IKBKE, IRAK1, IRAK3, IRAK4, JAK1, KDR, LATS1, LATS2, LIMK1, LIMK2, LTK, MAP2K1, MAP2K2, MAP2K6, MAP3K10, MAP3K2, MAP3K20, MAP3K3, MAP3K4, MAP3K7, MAP4K2, MAP4K4, MAPK10, MAPK13, MAPK7, MAPKAPK2, MARK1, MARK2, MARK3, MARK4, MERTK, MINK1, MKNK2, MST1R, MYLK4, NEK4, NEK5, NEK7, PAK1, PAK2, PAK3, PAK4, PAK5, PAK6, PASK, PDGFRA, PHKG1, PHKG2, PKN1, PKN2, pknB, PRKAA1, PRKCG, PRKCQ, PRKCZ, PRPF4B, PTK2B, ROCK1, ROCK2, RPS6KA1, RPS6KA2, RPS6KA3, RPS6KB1, SGK2, SIK1, SIK1B, SIK2, STK11, STK17A, STK24, STK25, STK26, STK38L, SYK, TEC, TESK1, TGFBR1, TLK1, TNIK, TNK2, TSSK2, TTK, TXK, TYK2, WEE1, WEE2 |
10 (confirmed non-binding) |
Batch Information for HMSL10021-101-2:
HMS LINCS Batch ID: | 10021-101-2 |
Provider: | Nathanael Gray (DFCI) |
Provider Batch ID: | synthesized 6/5/2009 |
Salt: | 101 |
Molecular Formula: | C23H28N8OS |
Molecular Weight: | 464.59 |
Purity: | |
Purification Method: | |
Chemical Synthesis Reference: | |
Comments: | |
Date Publicly Available: | 2011-07-15 |
Most Recent Update: | 2016-04-04 |
(Kd <100 nM)