Palbociclib - Small Molecule (ID:10071-102)

HMS LINCS ID: 10071-102
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: 2016-12-16

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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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
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
10071-102-7 Selleck Chemicals