PF562271 - Small Molecule (ID:10072-101)
| HMS LINCS ID: |
10072-101
|
| Name: | PF562271 |
| Alternative Names: | KIN001-205 |
| LINCS ID: | LSM-1072 |
| PubChem CID: | 11713159 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 507.13 |
| InChi: | InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30) |
| InChi Key: | MZDKLVOWGIOKTN-UHFFFAOYSA-N |
| SMILES: | CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C |
| 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, CDK1, CDK2, CDK5, CDK7, CDK9, CLK4, FRK, GSK3A, ITK, JAK2, MAPK1, MARK4, MELK, NTRK2, PTK2, PTK2B, ROS1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ALK, AURKA, AXL, BLK, CAMKK2, CHEK2, CLK2, FGFR1, FGFR3, FLG, FLT1, FLT3, FLT4, GSK3B, HIPK2, HIPK4, IGF1R, INSR, IRAK4, KDR, LCK, LRRK2, LTK, LYN, MAP3K10, MAP4K4, MAP4K5, MAPK10, MARK2, MARK3, MATK, MET, MINK1, MST1R, NTRK1, NTRK3, PAK4, PKN2, PLK4, PRKAA1, PRKACA, PRKCQ, PRKX, RET, RPS6KA3, SIK2, SLK, SRC, STK3, TAOK1, TYK2 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, ACVR1, AKT1, AKT2, BRSK1, BTK, CAMK1, CAMK1D, CAMK2A, CAMK2B, CAMK2D, CAMK2G, CDC42BPA, CDC7, CDK8, CHEK1, CSF1R, CSNK1A1, CSNK1D, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, DAPK3, DYRK1A, DYRK1B, DYRK4, EEF2K, EGFR, EPHA2, ERBB2, ERBB4, FER, FYN, GRK5, HCK, IKBKE, IRAK1, JAK3, KIT, LIMK1, MAP2K1, MAP2K2, MAP4K2, MAPK12, MAPK13, MAPK14, MAPK8, MAPK9, MAPKAPK2, MAPKAPK5, NEK2, NEK4, PAK1, PDGFRA, PDGFRB, PDK1, PDPK1, PHKG2, PIM1, PIM2, PIM3, PKD2, PRKCD, PRKCG, PRKCI, PRKCZ, PRKD2, PRKD3, PRKG1, PRKG2, ROCK1, ROCK2, RPS6KA5, RPS6KB1, SGK2, SRMS, SRPK1, STK17A, SYK, TBK1, TNK2, TSSK1B, TSSK2, 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 |
| 20237 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 1 of 15: Cell count and relative growth within biological replicate 1. | Microscopy/Imaging |
| 20238 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 2 of 15: Cell count and relative growth within biological replicate 2. | Microscopy/Imaging |
| 20239 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 3 of 15: Cell count and relative growth within biological replicate 3. | Microscopy/Imaging |
| 20240 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 4 of 15: Mean cell count and mean growth rate across biological replicate 1. | Microscopy/Imaging |
| 20241 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 5 of 15: Mean cell count and mean growth rate across biological replicate 2. | Microscopy/Imaging |
| 20242 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 6 of 15: Mean cell count and mean growth rate across biological replicate 3. | Microscopy/Imaging |
| 20243 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 7 of 15: Mean cell count and mean growth rate across all replicates. | Microscopy/Imaging |
| 20245 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 8 of 15: Cell count and normalized growth rate inhibition values within biological replicate 1. | Microscopy/Imaging |
| 20246 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 9 of 15: Cell count and normalized growth rate inhibition values within biological replicate 2. | Microscopy/Imaging |
| 20247 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 10 of 15: Cell count and normalized growth rate inhibition values within biological replicate 3. | Microscopy/Imaging |
| 20248 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 11 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 1. | Microscopy/Imaging |
| 20249 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 12 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 2. | Microscopy/Imaging |
| 20250 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 13 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 3. | Microscopy/Imaging |
| 20251 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 14 of 15: Mean cell count and mean normalized growth rate inhibition values across all replicates. | Microscopy/Imaging |
| 20252 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 15 of 15: Calculated dose-response metrics. | Analysis |
| 20272 | Viability and apoptosis measured by imaging in BRAF(V600E/D) melanoma cell lines following treatment with combinations of two compounds (viability/apoptosis dataset 1 of 2) | Microscopy/Imaging |
| 20273 | Viability and apoptosis measured by imaging in BRAF(V600E/D) melanoma cell lines following treatment with combinations of three compounds (viability/apoptosis dataset 2 of 2) | Microscopy/Imaging |
| 20274 | Phosphorylation state and protein levels measured by imaging in BRAF(V600E/D) melanoma cell lines following treatment with combinations of two compounds (immunofluorescence dataset 1 of 4) | Microscopy/Imaging |
| 20275 | Phosphorylation state and protein levels measured by imaging in BRAF(V600E/D) melanoma cell lines following treatment with combinations of two compounds (immunofluorescence dataset 2 of 4) | Microscopy/Imaging |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10072-101-1 | Haoyuan chemexpress | HY-999-20110107 |
| 10072-101-2 | Selleck Chemicals |
(Kd <100 nM)