Ponatinib - Small Molecule (ID:10150-101)
| HMS LINCS ID: |
10150-101
|
| Name: | Ponatinib |
| Alternative Names: | AP24534 |
| LINCS ID: | LSM-1151 |
| PubChem CID: | 24826799 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 532.22 |
| InChi: | InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) |
| InChi Key: | PHXJVRSECIGDHY-UHFFFAOYSA-N |
| SMILES: | CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
ABL1, ABL2, BCR, FGFR1, FLG, FLT3, KDR, KIT, RET, SRC, SRC | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | BLK, EPHA2, EPHA3, EPHA4, EPHA5, EPHA7, EPHA8, EPHB1, EPHB2, EPHB3, EPHB4, FGFR2, FGFR3, FGFR4, FGR, FLT1, FLT4, FRK, FYN, HCK, LCK, LYN, PDGFRA, PDGFRB, TEK, YES1 |
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 |
|---|---|---|
| 10150-101-1 | Haoyuan chemexpress | HY-12047-20110429 |
(Kd <100 nM)