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) |
Datasets:
| HMS Dataset ID | Dataset Title | HMS Dataset Type |
|---|---|---|
| 20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
| 20001 | Moerke 2 Color Apoptosis | Microscopy/Imaging |
| 20002 | Moerke 3 Color Apoptosis | Microscopy/Imaging |
| 20003 | Tang Mitosis/Apoptosis ver. II | Microscopy/Imaging |
| 20004 | Tang Proliferation/Mitosis | Microscopy/Imaging |
| 20120 | Metrics other than potency reveal systematic variation in responses to cancer drugs | Analysis |
| 20237 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 1 of 15: Cell count and relative growth within biological replicate 1. | Microscopy/Imaging |
| 20238 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 2 of 15: Cell count and relative growth within biological replicate 2. | Microscopy/Imaging |
| 20239 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 3 of 15: Cell count and relative growth within biological replicate 3. | Microscopy/Imaging |
| 20240 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 4 of 15: Mean cell count and mean growth rate across biological replicate 1. | Microscopy/Imaging |
| 20241 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 5 of 15: Mean cell count and mean growth rate across biological replicate 2. | Microscopy/Imaging |
| 20242 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 6 of 15: Mean cell count and mean growth rate across biological replicate 3. | Microscopy/Imaging |
| 20243 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 7 of 15: Mean cell count and mean growth rate across all replicates. | Microscopy/Imaging |
| 20245 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 8 of 15: Cell count and normalized growth rate inhibition values within biological replicate 1. | Microscopy/Imaging |
| 20246 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 9 of 15: Cell count and normalized growth rate inhibition values within biological replicate 2. | Microscopy/Imaging |
| 20247 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 10 of 15: Cell count and normalized growth rate inhibition values within biological replicate 3. | Microscopy/Imaging |
| 20248 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 11 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 1. | Microscopy/Imaging |
| 20249 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 12 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 2. | Microscopy/Imaging |
| 20250 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 13 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 3. | Microscopy/Imaging |
| 20251 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 14 of 15: Mean cell count and mean normalized growth rate inhibition values across all replicates. | Microscopy/Imaging |
| 20252 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 15 of 15: Calculated dose-response metrics. | Analysis |
| 20268 | Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 1 of 4: Relative cell counts and normalized growth rate inhibition values across technical replicates. | Analysis |
| 20269 | Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 2 of 4: Calculated dose-response metrics. | Analysis |
| 20270 | Growth rate-corrected (GR) dose-response metric signatures across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 3 of 4: Median, upper quartile, and lower quartile GR metrics per perturbagen. | Analysis |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10021-101-1 | Haoyuan chemexpress | HY-999-20091112 |
| 10021-101-2 | Nathanael Gray (DFCI) | synthesized 6/5/2009 |
| 10021-101-3 | Selleck Chemicals | S104802 |
| 10021-101-4 | Haoyuan chemexpress | 4439 |
| 10021-101-5 | Selleck Chemicals |
(Kd <100 nM)