Compound Detail
CHEMBL269883
GW416981X Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL269883 |
| Name | GW416981X |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOTACNUKABBYFV-YVLHZVERSA-N |
8
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
2.55
ALogP
6
HBA
3
HBD
127.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.72 | 7.72 | 19.0 | 2 |
| RKO CHEMBL614879 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| MDA-MB-468 CHEMBL614335 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| HFF CHEMBL614071 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against human cyclin-dependent kinase 2 (CDK2) | 11728181 |
| Cyclin-dependent kinase 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of CDK2 | 18271520 |
| Cyclin-dependent kinase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibitory activity against human cyclin-dependent kinase 1 (CDK1) | 11728181 |
| Cyclin-dependent kinase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of CDK1 | 18271520 |
| RKO | IC50 | = | 890.0 | nM | 6.05 | Inhibition of RKO tumor cell proliferation | 11728181 |
| SW-620 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of SW620 tumor cell proliferation | 11728181 |
| HT-29 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of HT-29 tumor cell proliferation | 11728181 |
| MDA-MB-468 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of MDA-MB468 tumor cell proliferation | 11728181 |
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of progression of cells from G1 into S-phase by BrdU incorporation as... | 11728181 |
| HFF | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human foreskin fibroblasts (HFF) proliferation | 11728181 |
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 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent 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 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | RAC-alpha serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL2007661 | Serine/threonine-protein kinase TBK1 | 2 |
| - | 10.6019/CHEMBL1961873 | Rhodopsin kinase GRK7 | 2 |
| - | 10.6019/CHEMBL1961873 | G protein-coupled receptor kinase 6 | 2 |
| - | 10.6019/CHEMBL1961873 | RAC-gamma serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL1961873 | RAC-beta serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C eta type | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D2 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D1 | 2 |
Data from ChEMBL 36 via Core Engine