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 |
|---|---|
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) |
Batch Information for HMSL10304-105-1:
| HMS LINCS Batch ID: | 10304-105-1 |
| Provider: | Cayman Chemical |
| Provider Batch ID: | 0444540-5 |
| Salt: | 105 |
| Molecular Formula: | C19H21FN3O5P |
| Molecular Weight: | 421.4 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2013-05-08 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10304-105-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 04/13/2015 | PASS | HMSL10304-105-1_NMR.pdf, HMSL10304-105-1_LCMS.pdf | |
| 05/13/2013 | PASS | None |
(Kd <100 nM)