Compound Detail
CHEMBL466412
GSK-238063A Enter ChEMBL ID:
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CN(C)C(=O)O[C@@H]1CN[C@@H](C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)C1
Basic Information
| ChEMBL ID | CHEMBL466412 |
| Name | GSK-238063A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEIAMNOHYKXSFB-FPOVZHCZSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
566.1
MW (Da)
5.59
ALogP
8
HBA
2
HBD
88.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.52
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| BT-474 CHEMBL614529 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BT-474 | EC50 | = | 30.0 | nM | 7.52 | Antiproliferative activity against human BT474 cells overexpressing ERBb2 after ... | 19028424 |
| Receptor tyrosine-protein kinase erbB-2 | EC50 | = | 30.0 | nM | 7.52 | Inhibition of ERBb2 by DELFIA assay | 19028424 |
| Epidermal growth factor receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of EGFR by HTRF assay | 19028424 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of ERBb2 by HTRF assay | 19028424 |
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 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 4 |
| - | 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 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase beta-1 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D2 | 2 |
| - | 10.6019/CHEMBL1961873 | cAMP-dependent protein kinase catalytic subunit alpha | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D1 | 2 |
| - | 10.6019/CHEMBL2007661 | Serine/threonine-protein kinase TBK1 | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK beta | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK alpha | 2 |
| - | 10.6019/CHEMBL1961873 | G protein-coupled receptor kinase 6 | 2 |
Data from ChEMBL 36 via Core Engine