Compound Detail
CHEMBL517171
GSK-1713088A Enter ChEMBL ID:
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CCCN1CCC(Oc2cc(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)c(OC)cc2Cl)CC1
Basic Information
| ChEMBL ID | CHEMBL517171 |
| Name | GSK-1713088A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGQTUXCKDZGJDL-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
568.0
MW (Da)
5.60
ALogP
8
HBA
4
HBD
130.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.6 | 6.435 | 25.0 | 2 |
| G protein-coupled receptor kinase 5 CHEMBL5678 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.4 | 5.4 | 3981.0 | 1 |
| Beta-adrenergic receptor kinase 1 CHEMBL4079 | IC50 | 5.2 | 5.2 | 6300.0 | 2 |
| Rhodopsin kinase GRK1 CHEMBL3879860 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Rhodopsin kinase GRK1 CHEMBL5607 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 25.0 | nM | 7.6 | Inhibition of IGF-1R | 19071018 |
| G protein-coupled receptor kinase 5 | IC50 | = | 3200.0 | nM | 5.5 | Displacement of BODIPY TR-ADP from GRK5 (unknown origin) preincubated for 10 min... | 31857838 |
| Mitogen-activated protein kinase 8 | IC50 | = | 3981.0 | nM | 5.4 | Inhibition of His-tagged JNK1 | 19071018 |
| Insulin-like growth factor 1 receptor | IC50 | = | 5366.0 | nM | 5.27 | Inhibition of phospho IGFR1 by cellular assay | 19071018 |
| Beta-adrenergic receptor kinase 1 | IC50 | = | 6300.0 | nM | 5.2 | Displacement of BODIPY TR-ADP from human GRK2 preincubated for 10 mins followed ... | 31857838 |
| Beta-adrenergic receptor kinase 1 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of GRK2 (unknown origin) | 36055000 |
| Rhodopsin kinase GRK1 | IC50 | = | 13000.0 | nM | 4.89 | Displacement of BODIPY TR-ADP from bovine GRK1 (1 to 535 residues) preincubated ... | 31857838 |
| Rhodopsin kinase GRK1 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of GRK1 (unknown origin) | 36055000 |
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 | Platelet-derived growth factor receptor alpha | 8 |
| - | 10.6019/CHEMBL1961873 | Mast/stem cell growth factor receptor Kit | 8 |
| - | 10.6019/CHEMBL1961873 | Proto-oncogene tyrosine-protein kinase receptor Ret | 6 |
| - | 10.6019/CHEMBL1961873 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C beta type | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | MAP kinase-interacting serine/threonine-protein kinase 2 | 2 |
| - | 10.6019/CHEMBL1961873 | MAP kinase-interacting serine/threonine-protein kinase 1 | 2 |
| - | 10.6019/CHEMBL1961873 | PAS domain-containing serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL1961873 | Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform | 2 |
| - | 10.6019/CHEMBL1961873 | Phosphorylase b kinase gamma catalytic chain, liver/testis isoform | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase pim-1 | 2 |
| - | 10.6019/CHEMBL1961873 | MAP/microtubule affinity-regulating kinase 4 | 2 |
| - | 10.6019/CHEMBL1961873 | MAP/microtubule affinity-regulating kinase 3 | 2 |
| - | 10.6019/CHEMBL1961873 | MAP kinase-activated protein kinase 2 | 2 |
Data from ChEMBL 36 via Core Engine