Compound Detail
CHEMBL1998165
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Basic Information
| ChEMBL ID | CHEMBL1998165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXQALZUQMVXFAC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.2
MW (Da)
3.33
ALogP
4
HBA
3
HBD
62.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL5860 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit beta CHEMBL4121 | Ki | 5.1 | 5.1 | 7943.3 | 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 | = | 20.0 | nM | 7.7 | Inhibition of MEK1 in mouse C26 cells assessed as inhibition of ERK1/2 phosphory... | 26943489 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Calcium/calmodulin-dependent protein kinase type II subunit beta | Ki | = | 7943.28 | nM | 5.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26943489 | 10.1021/acs.jmedchem.5b01655 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine