Nilotinib - Small Molecule (ID:10099-101)
| HMS LINCS ID: |
10099-101
|
| Name: | Nilotinib |
| Alternative Names: | AMN-107 |
| LINCS ID: | LSM-1099 |
| PubChem CID: | 644241 |
| ChEBI ID: | |
| ChEMBL ID: | 255863 |
| Molecular Mass: | 529.18 |
| InChi: | InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) |
| InChi Key: | HHZIURLSWUIHRB-UHFFFAOYSA-N |
| SMILES: | CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=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, CA1, CA2, CA7, CA9, Car15, CSF1R, DDR1, DDR2, EPHA8, FRK, KIT, LCK, MAP3K20, MAPK11, PDGFRA, PDGFRB, TKT | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | BLK, CA12, CA14, CA3, CA4, CA6, CDC42BPB, EPHA1, EPHA2, EPHA3, EPHA4, EPHA6, EPHB2, EPHB4, EPHB6, FGR, FPGT-TNNI3K, HCK, LYN, MAP2K5, MAP4K1, MAPK14, MAPK8, NTRK2, NTRK3, PF3D7_0217500, RET, TNNI3K |
3 (equivalent to 1µM ≤ Kd < 10 µM) | BRAF, CA5A, Car13, CLK1, CLK4, CSK, EPHA5, EPHB1, EPHB3, FYN, MAPK10, MAPK9, PIP4K2C, RAF1, SRC, STK10, TAOK1, TAOK3, TEK, TIE1, YES1 |
10 (confirmed non-binding) |
Batch Information for HMSL10099-101-1:
| HMS LINCS Batch ID: | 10099-101-1 |
| Provider: | Haoyuan chemexpress |
| Provider Batch ID: | HY-10159-20110128 |
| Salt: | 101 |
| Molecular Formula: | C28H22F3N7O |
| Molecular Weight: | 529.52 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2011-07-15 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10099-101-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 03/13/2015 | PASS | HMSL10099-101-1_LCMS.pdf |
(Kd <100 nM)