Compound Detail
CHEMBL513897
GSK-994854A Enter ChEMBL ID:
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CCCN1CCC=C(c2ccc(Nc3nc(Nc4ccccc4C(N)=O)c4cc[nH]c4n3)c(C)c2)C1
Basic Information
| ChEMBL ID | CHEMBL513897 |
| Name | GSK-994854A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCHOTIIDAJHLED-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
5.35
ALogP
6
HBA
4
HBD
112.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of ALK | 19056263 |
| Insulin-like growth factor 1 receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition of GST-tagged human IGF1R expressed in Sf9 cells by Wallac Victor flu... | 19056263 |
| Insulin receptor | IC50 | = | 6.3 | nM | 8.2 | Inhibition of human IR | 19056263 |
| Mitogen-activated protein kinase 8 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of JNK1 | 19056263 |
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 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 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 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-5 | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase beta-1 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK beta | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK alpha | 2 |
| - | 10.6019/CHEMBL1961873 | RAC-gamma serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL1961873 | RAC-beta serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL2007661 | Serine/threonine-protein kinase TBK1 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D3 | 2 |
Data from ChEMBL 36 via Core Engine