Enzastaurin - Small Molecule (ID:10069-999)
| HMS LINCS ID: |
10069-999
|
| Name: | Enzastaurin |
| Alternative Names: | LY317615 |
| LINCS ID: | LSM-1069 |
| PubChem CID: | 176167 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 515.23 |
| InChi: | InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) |
| InChi Key: | AXRCEOKUDYDWLF-UHFFFAOYSA-N |
| SMILES: | CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-07-12 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
GSK3B, MAPK15, PRKCB, PRKCD, PRKCE, PRKCH, PRKCQ, RPS6KA3, RPS6KA6 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | CLK1, CLK2, DYRK1A, FLT3, HIPK2, ICK, MYLK4, PIM1, PIM2, PRKACA, PRKACB, Prkca, PRKCA, Prkcb, Prkcd, Prkce, Prkcg, Prkch, Prkcq, Prkcz, PRKG2, RPS6KA2, RPS6KA5, STK17A, TLK1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | AAK1, AKT3, AXL, BMP2K, CAMK2D, CAMKK2, CDK14, CDK15, CDK16, CDK2, CDK3, CDK7, CDK9, CDKL2, CDKN3, CLK4, DMPK, DYRK1B, FGFR1, FLG, FLT4, GRK1, GRK7, HIPK1, HIPK4, JAK3, KIT, MAP3K19, MAP4K1, MELK, MET, MINK1, NUAK2, PAK3, PDGFRB, PHKG1, PIM3, PIP5K1C, PKN1, PRKAA2, PRKCG, PRKCZ, PRKG1, RPS6KA1, RPS6KA4, RPS6KB1, SLK, STK16, STK26, STK3, STK33, TLK2, TNK1 |
10 (confirmed non-binding) |
Batch Information for HMSL10069-999-3:
| HMS LINCS Batch ID: | 10069-999-3 |
| Provider: | |
| Provider Batch ID: | |
| Salt: | 999 |
| Molecular Formula: | |
| Molecular Weight: | |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2016-05-27 |
| Most Recent Update: | 2016-12-02 |
(Kd <100 nM)