Compound Detail
CHEMBL4879010
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Basic Information
| ChEMBL ID | CHEMBL4879010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STQNTZGKYOJTGA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.35
ALogP
7
HBA
2
HBD
106.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 0.15 | nM | 9.82 | Inhibition of MKN1 (unknown origin) in presence of ATP by HTRF assay | 34515481 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of MKN2 (unknown origin) in presence of ATP by HTRF assay | 34515481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34515481 | 10.1021/acs.jmedchem.1c01084 | MAP kinase-interacting serine/threonine-protein kinase 1 | 2 |
| 34515481 | 10.1021/acs.jmedchem.1c01084 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine