Compound Detail
CHEMBL318804
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Basic Information
| ChEMBL ID | CHEMBL318804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSENMPAGYMUVDE-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
565.1
MW (Da)
5.50
ALogP
10
HBA
1
HBD
97.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase; ERK1/ERK2 CHEMBL1907606 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.7 | 8.4 | 2.0 | 2 |
| LoVo CHEMBL614721 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 1 CHEMBL3956 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase; ERK1/ERK2 | IC50 | = | 0.01 | nM | 11.0 | Inhibit ion of MAPK phosphorylation in LoVo cells | 12941327 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 2.0 | nM | 8.7 | Inhibitory concentration against Mitogen activated protein kinase kinase kinase ... | 12941327 |
| LoVo | IC50 | = | 5.0 | nM | 8.3 | Inhibitory concentration against LoVo cell proliferation, was determined using C... | 12941327 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of MEK1 phosphorylation in LoVo cells | 12941327 |
| Mitogen-activated protein kinase kinase kinase 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of MEK-1 Kinase phosphorylation in LoVo cells | 12941327 |
| Insulin-like growth factor 1 receptor | IC50 | = | 66.0 | nM | 7.18 | Inhibition of GST-IGF1R | 19041240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941327 | 10.1016/s0960-894x(03)00640-1 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 12941327 | 10.1016/s0960-894x(03)00640-1 | LoVo | 2 |
| 12941327 | 10.1016/s0960-894x(03)00640-1 | Caco-2 | 1 |
| 12941327 | 10.1016/s0960-894x(03)00640-1 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 12941327 | 10.1016/s0960-894x(03)00640-1 | Serine/threonine-protein kinase AKT | 1 |
| 12941327 | 10.1016/s0960-894x(03)00640-1 | Epidermal growth factor receptor | 1 |
| 12941327 | 10.1016/s0960-894x(03)00640-1 | Mitogen-activated protein kinase kinase kinase 1 | 1 |
| 19041240 | 10.1016/j.bmcl.2008.11.037 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine