PLX-4720 - Small Molecule (ID:10049-101)
| HMS LINCS ID: |
10049-101
|
| Name: | PLX-4720 |
| Alternative Names: | |
| LINCS ID: | LSM-1049 |
| PubChem CID: | 24180719 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 413.04 |
| InChi: | InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) |
| InChi Key: | YZDJQTHVDDOVHR-UHFFFAOYSA-N |
| SMILES: | CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)Cl)F |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
FGR, MAP2K5, MAP3K20, PF3D7_0217500, PTK6, RAF1, SRMS | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | BRAF, CDK19, EPHB6, LIMK2, MAP2K1, MAP2K4, NEK11, PDGFRA, PDGFRB, RIOK2, RIPK2, SIK1, SIK1B, TGFBR2 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, ABL2, ACVR2B, AIM1, AURKB, AURKC, BLK, BMPR1B, C8orf44-SGK3, CAMK1, CDK8, CLK1, CLK2, CSF1R, CSK, CSNK1G2, DCLK1, DCLK3, DDR1, DDR2, DYRK2, EIF2AK4, FES, FGFR1, FGFR2, FLG, FLT1, FLT3, FRK, FYN, HCK, HIPK1, HIPK2, HIPK3, HIPK4, KDR, KIT, LCK, LIMK1, LYN, MAP2K2, MAP4K5, MINK1, MYLK4, NEK2, OSR1, OXSR1, PAK1, PI4KB, PLK4, RIPK1, SGK3, SIK2, SLK, SRC, STK16, STK36, TESK1, TKT, TNIK, TNK2, YES1 |
10 (confirmed non-binding) |
Batch Information for HMSL10049-101-1:
| HMS LINCS Batch ID: | 10049-101-1 |
| Provider: | Nathanael Gray (DFCI) |
| Provider Batch ID: | PLX-4720-1 |
| Salt: | 101 |
| Molecular Formula: | C17H14ClF2N3O3S |
| Molecular Weight: | 413.83 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2011-07-15 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10049-101-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 03/13/2015 | PASS | HMSL10049-101-1_LCMS.pdf |
(Kd <100 nM)