MLN8054 - Small Molecule (ID:10066-101)
| HMS LINCS ID: |
10066-101
|
| Name: | MLN8054 |
| Alternative Names: | |
| LINCS ID: | LSM-1066 |
| PubChem CID: | 11712649 |
| ChEBI ID: | |
| ChEMBL ID: | 259084 |
| Molecular Mass: | 476.09 |
| InChi: | InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) |
| InChi Key: | HHFBDROWDBDFBR-UHFFFAOYSA-N |
| SMILES: | C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
Aurka, AURKA, AURKB, AURKC, BLK, STK17B | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ABL1, AIM1, Aurkb, AXL, Crybg1, EPHA2, EPHA4, EPHA6, EPHB1, EPHB4, FGR, GABRA1, LCK, MERTK, PLK4, SRC, STK17A, TEC, TEK, YES1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL2, BMX, BTK, CHUK, CLK2, CLK3, CSK, CSNK1A1, DAPK2, DDR1, DYRK1A, EGFR, EPHA1, EPHA3, EPHA5, EPHA7, EPHB3, ERBB4, FER, FGFR1, FGFR2, FGFR3, FLG, FLT1, FLT3, FLT4, FYN, GRK5, HCK, IRAK3, LYN, MAP4K2, MAPK13, MST1R, PDGFRA, PRKCG, PRKCZ, PTK2B, ROCK1, ROCK2, ROS1, RPS6KA1, SGK2, SIK1, SIK1B, STK10, TAOK1, TBK1, TIE1, TNK1, TYRO3 |
10 (confirmed non-binding) |
Batch Information for HMSL10066-101-1:
| HMS LINCS Batch ID: | 10066-101-1 |
| Provider: | Haoyuan chemexpress |
| Provider Batch ID: | HM-048_9-20100712 |
| Salt: | 101 |
| Molecular Formula: | C25H15ClF2N4O2 |
| Molecular Weight: | 476.86 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2011-07-15 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10066-101-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 03/13/2015 | PASS | HMSL10066-101-1_LCMS.pdf | |
| 06/06/2011 | PASS | None |
(Kd <100 nM)