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 HMSL10045-101-1:
HMS LINCS Batch ID: | 10045-101-1 |
Provider: | Nathanael Gray (DFCI) |
Provider Batch ID: | A443644-1 |
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: | 2016-04-04 |
HMS QC Testing Events for HMSL10045-101-1:
Date | HMS QC Outcome | Comment | Files |
---|---|---|---|
03/13/2015 | PASS | HMSL10045-101-1_LCMS.pdf |
(Kd <100 nM)