Compound Detail
CHEMBL404939
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Basic Information
| ChEMBL ID | CHEMBL404939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYQSWJNGTWVFOL-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
289.7
MW (Da)
1.67
ALogP
4
HBA
0
HBD
71.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.56 | 5.56 | 2770.0 | 1 |
| Tubulin alpha chain CHEMBL3988589 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 4.46 | 4.46 | 34500.0 | 1 |
| Mitogen-activated protein kinase 3 CHEMBL3385 | IC50 | 4.08 | 4.08 | 82900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Tpl2 kinase | 18077363 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of MEK1 | 18077363 |
| Trypanosoma cruzi | IC50 | = | 2770.0 | nM | 5.56 | Antitrypanosomal activity against epimastigote stage of Trypanosoma cruzi Tulahu... | 27345756 |
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Trypanosoma cruzi tubulin polymerization incubated at room tempera... | 27345756 |
| Tubulin alpha chain | IC50 | = | 6000.0 | nM | 5.22 | Assembly Assay: Tubulin assembly assays were conducted to assess tubulin polymer... | - |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 34500.0 | nM | 4.46 | Inhibition of Raf1 | 18077363 |
| Mitogen-activated protein kinase 3 | IC50 | = | 82900.0 | nM | 4.08 | Inhibition of ERK1 | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Death-associated protein kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Calcium/calmodulin-dependent protein kinase type 1D | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform gamma-3 | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek6 | 2 |
| 23398362 | 10.1042/bj20121418 | SRSF protein kinase 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase MARK1 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Mitogen-activated protein kinase 3 | 2 |
Data from ChEMBL 36 via Core Engine