Rucaparib - Small Molecule (ID:10304-105)

HMS LINCS ID: 10304-105
Name: Rucaparib
Alternative Names: AG014699; PF-01367338
LINCS ID: LSM-4947
PubChem CID: 9931954
ChEBI ID:
ChEMBL ID:
Molecular Mass: 323.14
InChi: InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
InChi Key: HMABYWSNWIZPAG-UHFFFAOYSA-N
SMILES: CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=CC(=CC(=C34)N2)F
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)
PARP1, TNKS, TNKS2
2
(equivalent to 100 nM ≤ Kd < 1µM)
DYRK1A, PARP10, PARP15, PARP16, PARP2, PARP3, PARP4
3
(equivalent to 1µM ≤ Kd < 10 µM)
AIM1, AKT1, AKT2, AURKA, AURKB, CAMK1, CDK1, CDK2, CHEK1, CSNK1D, CSNK2A1, EPHA2, FGFR1, FLG, FLT4, GSK3A, GSK3B, INSR, KDR, MAPK1, MAPK12, MAPK13, MAPKAPK2, MARK2, MARK3, PAK4, PIM1, PKD2, PLK1, PLK3, PRKACA, PRKCD, PRKCG, PRKCZ, PRKD2, ROCK2, RPS6KA3, RPS6KB1, STK3
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
20276
Protein levels measured by imaging in BRAF(V600E/D) melanoma cell lines following treatment with Vemurafenib in combination with chromatin-targeting compounds (immunofluorescence dataset 3 of 4)
 Microscopy/Imaging
20354
Breast Cancer Profiling Project, Drug Sensitivity phase II: Fixed-cell GR measures of 33 breast cell lines and PDX lines to 16 small molecule perturbagens from library plate II. Dataset 1 of 2: Normalized growth rate inhibition values
 Microscopy/Imaging
20355
Breast Cancer Profiling Project, Drug Sensitivity phase II: Fixed-cell GR measures of 33 breast cell lines and PDX lines to 16 small molecule perturbagens from library plate II. Dataset 2 of 2: Calculated dose response metrics
 Analysis

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10304-105-1 Cayman Chemical 0444540-5