Compound Detail
CHEMBL4742157
GSK-2256098 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4742157 |
| Name | GSK-2256098 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BVAHPPKGOOJSPU-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
2
Known Names
4
Indications
1
Mechanisms
Molecular Properties
414.9
MW (Da)
4.60
ALogP
7
HBA
3
HBD
93.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Focal adhesion kinase 1 inhibitor | INHIBITOR | Focal adhesion kinase 1 | ✓ | ✓ |
Indications
Meningioma Hypertension, Pulmonary Neoplasms Neoplasms
Activity Summary
IC50 8 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 9.4 | 8.522 | 0.4 | 5 |
| Unchecked CHEMBL612545 | IC50 | 9.17 | 9.135 | 0.7 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.42 | 5.42 | 3820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of FAK (unknown origin) | 33058670 |
| Focal adhesion kinase 1 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of FAK (unknown origin) | 37974962 |
| Unchecked | IC50 | = | 0.67 | nM | 9.17 | Inhibition of tracer 236 binding to recombinant human GST-tagged full length FAK... | 32784087 |
| Unchecked | IC50 | = | 0.8 | nM | 9.1 | Inhibition of FAK (unknown origin) | 32784087 |
| Focal adhesion kinase 1 | IC50 | = | 8.5 | nM | 8.07 | Inhibition of FAK in human U87MG cells assessed as reduction in phosphorylation ... | 33058670 |
| Focal adhesion kinase 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of FAK in human A549 cells assessed as reduction in phosphorylation a... | 33058670 |
| Focal adhesion kinase 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of FAK in human OVCAR8 cells assessed as reduction in phosphorylation... | 33058670 |
| MDA-MB-231 | IC50 | = | 3820.0 | nM | 5.42 | Antiproliferative activity against human MDA-MB-231 cells assessed as reduction ... | 32784087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32784087 | 10.1016/j.bmcl.2020.127459 | Unchecked | 4 |
| 33058670 | 10.1021/acs.jmedchem.0c01248 | Focal adhesion kinase 1 | 4 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 32784087 | 10.1016/j.bmcl.2020.127459 | 786-0 | 1 |
| 32784087 | 10.1016/j.bmcl.2020.127459 | DU-145 | 1 |
| 32784087 | 10.1016/j.bmcl.2020.127459 | NCI-H1975 | 1 |
| 32784087 | 10.1016/j.bmcl.2020.127459 | BXPC-3 | 1 |
| 32784087 | 10.1016/j.bmcl.2020.127459 | MDA-MB-231 | 1 |
| 37974962 | 10.1039/d3md00324h | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine