Omipalisib - Small Molecule (ID:10146-101)

HMS LINCS ID: 10146-101
Name: Omipalisib
Alternative Names: GSK2126458; GSK2126458A
LINCS ID: LSM-1147
PubChem CID: 25167777
ChEBI ID:
ChEMBL ID:
Molecular Mass: 505.10
InChi: InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
InChi Key: CGBJSGAELGCMKE-UHFFFAOYSA-N
SMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2018-03-30

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
FKBP1A, MTOR, PIK3CA
2
(equivalent to 100 nM ≤ Kd < 1µM)
PIK3C2B, PIK3CB, PIK3CD, PIK3CG
10
(confirmed non-binding)
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Batch Information for HMSL10146-101-2:

HMS LINCS Batch ID: 10146-101-2
Provider: GlaxoSmithKline
Provider Batch ID:
Salt: 101
Molecular Formula:
Molecular Weight:
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2012-11-14
Most Recent Update: 2016-12-02