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
1
(Kd <100 nM)
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)
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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