Pictilisib - Small Molecule (ID:10047-101)

HMS LINCS ID: 10047-101
Name: Pictilisib
Alternative Names: Pictrelisib; GDC-0941; RG-7321
LINCS ID: LSM-1047
PubChem CID: 17755052
ChEBI ID:
ChEMBL ID: 521851
Molecular Mass: 513.16
InChi: InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
InChi Key: LHNIIDJUOCFXAP-UHFFFAOYSA-N
SMILES: CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-12-20

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
AKT1, PIK3CA, PIK3CB, PIK3CD, PIK3CG
2
(equivalent to 100 nM ≤ Kd < 1µM)
CLK2, HIPK2, HIPK3, JAK1, MAPK10, MTOR, MYLK4, PDGFRA, PIK3C2B, PIK3C2G, RIOK2
3
(equivalent to 1µM ≤ Kd < 10 µM)
AAK1, CAMK1, CAMK1G, CDK16, CDK18, CDK7, CLK1, CLK4, CSNK1D, CSNK1E, CSNK2A2, DAPK1, DAPK3, DYRK1B, DYRK2, EPHB6, FLT3, GAK, HIPK1, HIPK4, ICK, IRAK3, MAP3K19, MAPK8, MAPK9, MELK, NTRK1, PLK4, PRKDC, RPS6KA3, RPS6KA6, STK16, TPTEP2-CSNK1E, TTK, TYK2
10
(confirmed non-binding)
(Click to show)

Batch Information for HMSL10047-101-1:

HMS LINCS Batch ID: 10047-101-1
Provider: Nathanael Gray (DFCI)
Provider Batch ID: GDC-0941-1
Salt: 101
Molecular Formula: C23H27N7O3S2
Molecular Weight: 513.64
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10047-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10047-101-1_LCMS.pdf