Compound Detail
CHEMBL5199998
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5199998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZUYOYKXEXENTQ-ZDUSSCGKSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
1.90
ALogP
6
HBA
1
HBD
100.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Serine/threonine-protein kinase SIK2 CHEMBL5699 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Serine/threonine-protein kinase SIK3 CHEMBL6149 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Serine/threonine-protein kinase SIK1 CHEMBL6082 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| NUAK family SNF1-like kinase 2 CHEMBL5698 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of NUAK1 (unknown origin) | 33356242 |
| Serine/threonine-protein kinase SIK2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of GST fused recombinant SIK2 in HEK293 cells assessed as effect on C... | 33356242 |
| Serine/threonine-protein kinase SIK3 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of GST fused recombinant SIK3 in HEK293 cells assessed as effect on C... | 33356242 |
| Serine/threonine-protein kinase SIK1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of GST fused recombinant SIK1 in HEK293 cells assessed as effect on C... | 33356242 |
| NUAK family SNF1-like kinase 2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of NUAK2 (unknown origin) | 33356242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33356242 | 10.1021/acs.jmedchem.0c00533 | NUAK family SNF1-like kinase 1 | 1 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | Serine/threonine-protein kinase SIK1 | 1 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | Serine/threonine-protein kinase SIK2 | 1 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | Serine/threonine-protein kinase SIK3 | 1 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | NUAK family SNF1-like kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine