ZM-447439 - Small Molecule (ID:10096-101)
| HMS LINCS ID: |
10096-101
|
| Name: | ZM-447439 |
| Alternative Names: | |
| LINCS ID: | LSM-1096 |
| PubChem CID: | 9914412 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 513.24 |
| InChi: | InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) |
| InChi Key: | OGNYUTNQZVRGMN-UHFFFAOYSA-N |
| SMILES: | COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
FYN, LCK, MAP4K5, RET | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | AIM1, AURKA, AURKB, ERBB2, KDR, LTK, MAP2K1, MAP2K2, PDGFRA, ROCK2, TNK2 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, ACVR1, ALK, BTK, CAMK1D, CAMK2A, CDK5, CDK7, CDK8, CDK9, CHEK1, CLK2, CLK4, CSF1R, CSNK1A1, DAPK3, DYRK1A, DYRK1B, FGFR1, FLG, FLT1, FLT3, GRK5, GSK3A, GSK3B, IGF1R, IKBKE, JAK2, JAK3, LIMK1, LRRK2, MAP4K2, MAP4K4, MAPK14, MAPK8, MAPK9, MARK3, MET, MST1R, NEK2, NTRK1, NTRK2, NTRK3, PAK4, PDGFRB, PIM1, PRKAA1, PRKACA, PRKCQ, PRKD3, PRKX, PTK2, ROCK1, RPS6KA3, TAOK1, TBK1, TYRO3 |
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 |
| 20047 | ZM-447439 KINOMEscan | KINOMEscan |
| 20268 | Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 1 of 4: Relative cell counts and normalized growth rate inhibition values across technical replicates. | Analysis |
| 20269 | Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 2 of 4: Calculated dose-response metrics. | Analysis |
| 20270 | Growth rate-corrected (GR) dose-response metric signatures across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 3 of 4: Median, upper quartile, and lower quartile GR metrics per perturbagen. | Analysis |
KINOMEscan Image
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10096-101-1 | Haoyuan chemexpress | HY-999-20101220 |
| 10096-101-2 | Tocris | |
| 10096-101-3 | MedChem Express | 09660 |
(Kd <100 nM)