Compound Detail
CHEMBL4303250
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Basic Information
| ChEMBL ID | CHEMBL4303250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHSDJDLAKKAWCI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.16
ALogP
8
HBA
2
HBD
91.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.23 | 5.23 | 5888.0 | 1 |
| NUAK family SNF1-like kinase 2 CHEMBL5698 | IC50 | 4.94 | 4.94 | 11480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of N-terminal GST-tagged wild type human NUAK1 expressed in Escherich... | 33356242 |
| NUAK family SNF1-like kinase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of GST-tagged NUAK1 (unknown origin) expressed in HEK293 cells using ... | 24171924 |
| Unchecked | IC50 | = | 5888.0 | nM | 5.23 | Inhibition of GST-tagged NUAK1 A195T (unknown origin) expressed in HEK293 cells ... | 24171924 |
| NUAK family SNF1-like kinase 2 | IC50 | = | 11480.0 | nM | 4.94 | Inhibition of GST-tagged NUAK2 (unknown origin) expressed in HEK293 cells using ... | 24171924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| - | 10.6019/CHEMBL5303304 | U2OS | 8 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| 24171924 | 10.1042/bj20131152 | NUAK family SNF1-like kinase 1 | 5 |
| 24171924 | 10.1042/bj20131152 | Unchecked | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 24171924 | 10.1042/bj20131152 | U2OS | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 24171924 | 10.1042/bj20131152 | MEF | 2 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| 33310286 | 10.1016/j.ejmech.2020.113080 | NUAK family SNF1-like kinase 1 | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | NUAK family SNF1-like kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine