TAK-632 - Small Molecule (ID:10409-101)
| HMS LINCS ID: |
10409-101
|
| Name: | TAK-632 |
| Alternative Names: | |
| LINCS ID: | |
| PubChem CID: | 46209401 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 554.10 |
| InChi: | InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37) |
| InChi Key: | OJFKUJDRGJSAQB-UHFFFAOYSA-N |
| SMILES: | C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
AIM1, AURKB, BRAF, RAF1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | CCNA2, CCNB1, CDK1, CDK2, FGFR3, GSK3B, KDR, MAPK14, PDGFA, PDGFB, TEK |
3 (equivalent to 1µM ≤ Kd < 10 µM) | CHEK1, IKBKB, MAP2K1 |
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 |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10409-101-1 | MedChem Express | 10219 |
(Kd <100 nM)