Regorafenib - Small Molecule (ID:10225-101)
| HMS LINCS ID: |
10225-101
|
| Name: | Regorafenib |
| Alternative Names: | BAY 73-4506 |
| LINCS ID: | LSM-1226 |
| PubChem CID: | 11167602 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 482.08 |
| InChi: | InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) |
| InChi Key: | FNHKPVJBJVTLMP-UHFFFAOYSA-N |
| SMILES: | CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)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 |
|---|---|
BRAF, EPHX2 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | FGFR1, FLT1, FLT4, KDR, KIT, PDGFRB, RAF1, RET, TEK |
3 (equivalent to 1µM ≤ Kd < 10 µM) | GLRA1 |
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 |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10225-101-1 | Haoyuan chemexpress | HY-10331-20111104 |
(Kd <100 nM)