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
1
(Kd <100 nM)
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)
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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