Compound Detail
CHEMBL495696
GW778894X Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL495696 |
| Name | GW778894X |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWRTWFWDDAJOMG-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
2.80
ALogP
7
HBA
1
HBD
91.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
EC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human CDK2 by HTRF assay | 18835709 |
| Cyclin-dependent kinase 4 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CDK4 by radioactive glutathione plate-binding assay | 18835709 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residue... | 32832032 |
| Trypanosoma brucei brucei | EC50 | = | 6.31 | nM | 8.2 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... | 31846577 |
| Glycogen synthase kinase-3 beta | IC50 | = | 10.0 | nM | 8.0 | Inhibition of GSK3-beta by scintillation proximity assay | 18835709 |
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 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C beta type | 4 |
| - | 10.6019/CHEMBL1961873 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | ADMET | 3 |
| - | 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 | cAMP-dependent protein kinase catalytic subunit alpha | 2 |
| - | 10.6019/CHEMBL1961873 | G protein-coupled receptor kinase 6 | 2 |
| - | 10.6019/CHEMBL1961873 | RAC-gamma serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D3 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D2 | 2 |
Data from ChEMBL 36 via Core Engine