AC220 - Small Molecule (ID:10037-101)
| HMS LINCS ID: |
10037-101
|
| Name: | AC220 |
| Alternative Names: | |
| LINCS ID: | LSM-1037 |
| PubChem CID: | 24889392 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 560.22 |
| InChi: | InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) |
| InChi Key: | CVWXJKQAOSCOAB-UHFFFAOYSA-N |
| SMILES: | CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
CSF1R, DDR1, FLT1, FLT3, FLT4, KDR, KIT, PDGFRA, PDGFRB, RET | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | DDR2, HIPK4, MAP4K5, MAPK15, MYLK3, NTRK2, NTRK3, RIPK1, TKT |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, EPHA3, EPHA6, EPHA7, EPHB6, FRK, LCK, LYN, MAP3K19, MAP3K7, MAP4K4, MKNK2, MUSK, NTRK1, RIPK2, SLK, STK10, TIE1, TNIK |
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 |
|---|---|---|
| 10037-101-1 | Haoyuan chemexpress | HY-13001-20101013 |
| 10037-101-2 | Haoyuan chemexpress | HY-13001-20111107 |
(Kd <100 nM)