Compound Detail
CHEMBL5415380
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Basic Information
| ChEMBL ID | CHEMBL5415380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARXQRVVEKOEUEV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
7
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
3.79
ALogP
7
HBA
1
HBD
83.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase SIK3 CHEMBL6149 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Serine/threonine-protein kinase SIK2 CHEMBL5699 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Serine/threonine-protein kinase SIK1 CHEMBL6082 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 50.83 | mL.min-1.kg-1 | Mus musculus |
| CL | 24.33 | mL.min-1.kg-1 | Mus musculus |
| CL | 12.63 | mL.min-1.kg-1 | Mus musculus |
| CL | 371.67 | mL.min-1.kg-1 | Mus musculus |
| F | 60.0 | % | Mus musculus |
| Fu | 0.034 | - | Mus musculus |
| T1/2 | 0.76 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase SIK3 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of human SIK3 isoform 1 (59 to 1321 residues) expressed in Sf9 insect... | 38147525 |
| Serine/threonine-protein kinase SIK2 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of SIK2 (unknown origin) using AMARA peptide as substrate incubated f... | 38147525 |
| Serine/threonine-protein kinase SIK1 | IC50 | = | 6.9 | nM | 8.16 | 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 | ADMET | 8 |
| 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 |
Data from ChEMBL 36 via Core Engine