Compound Detail
CHEMBL5410107
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Basic Information
| ChEMBL ID | CHEMBL5410107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJMKEYLTIHAWEP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
4.16
ALogP
7
HBA
0
HBD
74.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase SIK3 CHEMBL6149 | IC50 | 6.79 | 6.79 | 163.7 | 1 |
| Serine/threonine-protein kinase SIK2 CHEMBL5699 | IC50 | 6.22 | 6.22 | 597.0 | 1 |
| Serine/threonine-protein kinase SIK1 CHEMBL6082 | IC50 | 6.12 | 6.12 | 762.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase SIK3 | IC50 | = | 163.7 | nM | 6.79 | Inhibition of human SIK3 isoform 1 (59 to 1321 residues) expressed in Sf9 insect... | 38147525 |
| Serine/threonine-protein kinase SIK2 | IC50 | = | 597.0 | nM | 6.22 | Inhibition of SIK2 (unknown origin) using AMARA peptide as substrate incubated f... | 38147525 |
| Serine/threonine-protein kinase SIK1 | IC50 | = | 762.5 | nM | 6.12 | Inhibition of SIK1 (unknown origin) using AMARA peptide as substrate incubated f... | 38147525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Serine/threonine-protein kinase SIK1 | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Serine/threonine-protein kinase SIK2 | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Serine/threonine-protein kinase SIK3 | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Tyrosine-protein kinase ABL1 | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | TGF-beta receptor type-1 | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | AMPK alpha1/beta2/gamma1 | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Tyrosine-protein kinase Lyn | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | TGF-beta receptor type-2 | 1 |
Data from ChEMBL 36 via Core Engine