Palbociclib - Small Molecule (ID:10071-101)
| HMS LINCS ID: |
10071-101
|
| Name: | Palbociclib |
| Alternative Names: | PD0332991 |
| LINCS ID: | LSM-1071 |
| PubChem CID: | 5330286 |
| ChEBI ID: | |
| ChEMBL ID: | 189963 |
| Molecular Mass: | 447.24 |
| InChi: | InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) |
| InChi Key: | AHJRHEGDXFFMBM-UHFFFAOYSA-N |
| SMILES: | CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=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 |
|---|---|
CCND1, CCND2, CCND3, CDK4, CDK6, CLK4 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | CDK5, CDK9, CLK2, CSNK2A1, DAPK3, DYRK1A, DYRK1B, HIPK1, JAK2, MAP2K1, MAP2K1, MAP2K2, PRKD3, ROCK2, RPS6KA3, TAOK1, ULK2 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, ACVR1, AIM1, ALK, AURKA, AURKB, BTK, CAMK1D, CAMK2A, CCNA1, CCNA2, CDK2, CDK7, CDK8, CHEK1, CSF1R, CSNK1A1, FGFR1, FLG, FLT1, FLT3, FYN, GRK5, GSK3A, GSK3B, IGF1R, IKBKE, JAK3, KDR, LCK, LIMK1, LRRK2, LTK, MAP4K2, MAP4K4, MAP4K5, MAPK14, MAPK8, MAPK9, MARK3, MET, MST1R, NEK2, NTRK1, NTRK2, NTRK3, NUAK1, PAK4, PDGFRA, PDGFRB, PIM1, PRKAA1, PRKACA, PRKCQ, PRKX, PTK2, RET, ROCK1, TBK1, TNK2, TYRO3, WEE1 |
10 (confirmed non-binding) |
Batch Information for HMSL10071-101-2:
| HMS LINCS Batch ID: | 10071-101-2 |
| Provider: | MedChem Express |
| Provider Batch ID: | 16349 |
| Salt: | 101 |
| Molecular Formula: | C24H29N7O2 |
| Molecular Weight: | 447.53 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2016-01-08 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10071-101-2:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 12/21/2015 | PASS | HMSL10071-101-2_LCMS.pdf |
(Kd <100 nM)