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
1
(Kd <100 nM)
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)
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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