A443654 - Small Molecule (ID:10045-101)
| HMS LINCS ID: |
10045-101
|
| Name: | A443654 |
| Alternative Names: | |
| LINCS ID: | LSM-1045 |
| PubChem CID: | 10172943 |
| ChEBI ID: | |
| ChEMBL ID: | 379300 |
| Molecular Mass: | 397.19 |
| InChi: | InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1 |
| InChi Key: | YWTBGJGMTBHQTM-IBGZPJMESA-N |
| SMILES: | CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
AKT1, AKT2, AKT3 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | AKT1, CLK1, CLK2, CLK3, CSNK1E, DYRK1A, DYRK1B, DYRK3, HIPK1, LATS2, MAPK15, MYLK, PIM1, PIM2, PIM3, PKN1, PKN2, PRKACA, PRKACA, PRKCE, PRKCQ, PRKD2, ROCK2, RPS6KA5, TAOK1, TAOK3, TPTEP2-CSNK1E |
10 (confirmed non-binding) |
Batch Information for HMSL10045-101-2:
| HMS LINCS Batch ID: | 10045-101-2 |
| Provider: | Nathanael Gray (DFCI) |
| Provider Batch ID: | |
| Salt: | 101 |
| Molecular Formula: | C24H23N5O |
| Molecular Weight: | 397.47 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2011-07-15 |
| Most Recent Update: | 2016-12-02 |
(Kd <100 nM)