Purvalanol A - Small Molecule (ID:10273-101)

HMS LINCS ID: 10273-101
Name: Purvalanol A
Alternative Names:
LINCS ID: LSM-3118
PubChem CID: 456214
ChEBI ID:
ChEMBL ID:
Molecular Mass: 388.18
InChi: InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
InChi Key: PMXCMJLOPOFPBT-HNNXBMFYSA-N
SMILES: CC(C)[C@H](CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)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)
CCNA1, CCNA2, CCNB1, CCNB2, CCNB3, CCNE1, CCNE2, CDC28, CDK1, CDK2, CDK5
2
(equivalent to 100 nM ≤ Kd < 1µM)
CCND1, CDK4, PAK4, SRC
3
(equivalent to 1µM ≤ Kd < 10 µM)
INSR, MAPK3, PRKACA, PRKACB, PRKACG
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
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

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10273-101-1 Tocris