Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL373751

GSK-319347A
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(C#N)s3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373751
Name GSK-319347A
Phase Preclinical
Structure Type MOL
InChI Key LDTAHRLHGHFHKP-UHFFFAOYSA-N
23
Targets
365
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
3.96
ALogP
9
HBA
0
HBD
103.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O5S2
MW 469.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.11

Activity Summary

IC50 365 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
CHEMBL3529
 IC50 7.4 7.0433 39.8 3
Serine/threonine-protein kinase TBK1
CHEMBL5408
 IC50 7.14 7.085 72.0 2
Serine/threonine-protein kinase PLK1
CHEMBL3024
 IC50 6.1 6.1 794.3 1
NB10
CHEMBL2366243
 IC50 5.01 5.01 9664.3 1
SH-4
CHEMBL2366309
 IC50 4.71 4.71 19469.2 1
no-10
CHEMBL2366071
 IC50 4.65 4.65 22475.2 1
KS-1
CHEMBL2366228
 IC50 4.54 4.54 28842.6 1
NCI-H2141
CHEMBL2366323
 IC50 4.4 4.4 39729.0 1
OVCAR-4
CHEMBL614051
 IC50 4.38 4.38 41526.4 1
TE-441-T
CHEMBL2366268
 IC50 4.32 4.32 47893.4 1
LB647-SCLC
CHEMBL2366140
 IC50 4.27 4.27 54177.4 1
RPMI-8226
CHEMBL614882
 IC50 4.26 4.26 54505.1 1
GI-ME-N
CHEMBL2366074
 IC50 4.24 4.24 57330.5 1
MV4-11
CHEMBL613835
 IC50 4.22 4.22 60800.7 1
EW-11
CHEMBL2366223
 IC50 4.21 4.21 61794.9 1
NB1
CHEMBL2366284
 IC50 4.2 4.2 62654.0 1
SJSA-1
CHEMBL2366298
 IC50 4.17 4.17 66833.9 1
NB13
CHEMBL2366225
 IC50 4.17 4.17 68167.4 1
no-11
CHEMBL2366326
 IC50 4.16 4.16 69762.5 1
HuTu80
CHEMBL614582
 IC50 4.1 4.1 78944.5 1
CAS-1
CHEMBL2366100
 IC50 4.09 4.09 80811.8 1
U-87 MG
CHEMBL614247
 IC50 4.08 4.08 83083.5 1
CTB-1
CHEMBL2366344
 IC50 4.07 4.07 85808.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Inhibitor of nuclear factor kappa-B kinase subunit epsilon IC50 = 39.81 nM 7.4 Inhibition of human recombinant FLAG-IKKepsilon by TR-FRET assay 17502144
Inhibitor of nuclear factor kappa-B kinase subunit epsilon IC50 = 39.81 nM 7.4 Inhibition of human recombinant IKKepsilon by TR-FRET assay 16997559
Serine/threonine-protein kinase TBK1 IC50 = 72.0 nM 7.14 Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gen... 24462666
Serine/threonine-protein kinase TBK1 IC50 = 93.0 nM 7.03 Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as sub... 24462666
Inhibitor of nuclear factor kappa-B kinase subunit epsilon IC50 = 469.0 nM 6.33 Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as... 24462666
Serine/threonine-protein kinase PLK1 IC50 = 794.33 nM 6.1 Inhibition of PLK1 16997559
NB10 IC50 = 9664.28 nM 5.01 SANGER: Inhibition of human NB10 cell growth in a cell viability assay. -
SH-4 IC50 = 19469.19 nM 4.71 SANGER: Inhibition of human SH-4 cell growth in a cell viability assay. -
no-10 IC50 = 22475.23 nM 4.65 SANGER: Inhibition of human no-10 cell growth in a cell viability assay. -
KS-1 IC50 = 28842.59 nM 4.54 SANGER: Inhibition of human KS-1 cell growth in a cell viability assay. -
NCI-H2141 IC50 = 39729.02 nM 4.4 SANGER: Inhibition of human NCI-H2141 cell growth in a cell viability assay. -
OVCAR-4 IC50 = 41526.38 nM 4.38 SANGER: Inhibition of human OVCAR-4 cell growth in a cell viability assay. -
TE-441-T IC50 = 47893.41 nM 4.32 SANGER: Inhibition of human TE-441-T cell growth in a cell viability assay. -
LB647-SCLC IC50 = 54177.41 nM 4.27 SANGER: Inhibition of human LB647-SCLC cell growth in a cell viability assay. -
RPMI-8226 IC50 = 54505.14 nM 4.26 SANGER: Inhibition of human RPMI-8226 cell growth in a cell viability assay. -
GI-ME-N IC50 = 57330.46 nM 4.24 SANGER: Inhibition of human GI-ME-N cell growth in a cell viability assay. -
MV4-11 IC50 = 60800.68 nM 4.22 SANGER: Inhibition of human MV-4-11 cell growth in a cell viability assay. -
EW-11 IC50 = 61794.91 nM 4.21 SANGER: Inhibition of human EW-11 cell growth in a cell viability assay. -
NB1 IC50 = 62653.97 nM 4.2 SANGER: Inhibition of human NB1 cell growth in a cell viability assay. -
NB13 IC50 = 68167.44 nM 4.17 SANGER: Inhibition of human NB13 cell growth in a cell viability assay. -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase ABL1 14
- 10.6019/CHEMBL1961873 Epidermal growth factor receptor 10
- 10.6019/CHEMBL1961873 Mast/stem cell growth factor receptor Kit 8
- 10.6019/CHEMBL1961873 Platelet-derived growth factor receptor alpha 8
- 10.6019/CHEMBL1961873 Proto-oncogene tyrosine-protein kinase receptor Ret 6
- 10.6019/CHEMBL1961873 Protein kinase C beta type 4
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 4
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Cyclin-dependent kinase 2 4
- 10.6019/CHEMBL1961873 Protein kinase C iota type 2
- 10.6019/CHEMBL1961873 RAC-beta serine/threonine-protein kinase 2
- 10.6019/CHEMBL1961873 cAMP-dependent protein kinase catalytic subunit alpha 2
- 10.6019/CHEMBL1961873 Protein kinase C gamma type 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D2 2
- 10.6019/CHEMBL1961873 Protein kinase C eta type 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D1 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D3 2
- 10.6019/CHEMBL1961873 Protein kinase C theta type 2

Data from ChEMBL 36 via Core Engine