Compound Detail
CHEMBL3819622
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O=C(CNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)NCCCCCC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL3819622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJKRDSCDYRZJJR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1020.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphoryl... | 26943489 |
| Unchecked | IC50 | = | 54.0 | nM | 7.27 | Inhibition of PI3K (unknown origin) assessed as reduction in lipid kinase activi... | 26943489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26943489 | 10.1021/acs.jmedchem.5b01655 | Unchecked | 3 |
| 26943489 | 10.1021/acs.jmedchem.5b01655 | Dual specificity mitogen-activated protein kinase kinase 1 | 3 |
| 26943489 | 10.1021/acs.jmedchem.5b01655 | A549 | 1 |
| 26943489 | 10.1021/acs.jmedchem.5b01655 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine