Compound Detail
CHEMBL5190521
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Basic Information
| ChEMBL ID | CHEMBL5190521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFWHDFGMXHATNR-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.85
ALogP
8
HBA
2
HBD
91.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 7.52 | 6.68 | 30.0 | 3 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Aurora kinase C CHEMBL3935 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of N-terminal GST-tagged wild type human NUAK1 expressed in Escherich... | 33356242 |
| NUAK family SNF1-like kinase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of GST-tagged NUAK1 (unknown origin) expressed in HEK293 cells using ... | 24171924 |
| Aurora kinase B | IC50 | = | 54.0 | nM | 7.27 | Inhibition of Aurora B (unknown origin) | 33356242 |
| Aurora kinase C | IC50 | = | 120.0 | nM | 6.92 | Inhibition of Aurora C (unknown origin) | 33356242 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of GST-tagged NUAK1 A195T (unknown origin) expressed in HEK293 cells ... | 24171924 |
| NUAK family SNF1-like kinase 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of NUAK1 in HEK293 cells assessed as effect on MYPT1 phosphorylation ... | 33356242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33356242 | 10.1021/acs.jmedchem.0c00533 | NUAK family SNF1-like kinase 1 | 2 |
| 24171924 | 10.1042/bj20131152 | NUAK family SNF1-like kinase 1 | 2 |
| 24171924 | 10.1042/bj20131152 | Unchecked | 2 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | Aurora kinase C | 1 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | Aurora kinase B | 1 |
| 24171924 | 10.1042/bj20131152 | NUAK family SNF1-like kinase 2 | 1 |
| 24171924 | 10.1042/bj20131152 | Aurora kinase A | 1 |
| 24171924 | 10.1042/bj20131152 | Aurora kinase B | 1 |
| 24171924 | 10.1042/bj20131152 | Tyrosine-protein kinase ABL1 | 1 |
| 24171924 | 10.1042/bj20131152 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine