Compound Detail
CHEMBL5173501
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Basic Information
| ChEMBL ID | CHEMBL5173501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBLCPBDVMUSESZ-WDEREUQCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.55
ALogP
6
HBA
2
HBD
80.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 9.0 | 8.9567 | 1.0 | 3 |
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 1.01 | nM | 9.0 | Inhibition of wild type ALK (unknown origin) | 33356242 |
| ALK tyrosine kinase receptor | IC50 | = | 1.08 | nM | 8.97 | Inhibition of ALK L1196M mutant (unknown origin) | 33356242 |
| ALK tyrosine kinase receptor | IC50 | = | 1.26 | nM | 8.9 | Inhibition of ALK G1202R mutant (unknown origin) | 33356242 |
| NUAK family SNF1-like kinase 1 | IC50 | = | 3.7 | nM | 8.43 | Inhibition of N-terminal GST-tagged wild type human NUAK1 expressed in Escherich... | 33356242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33356242 | 10.1021/acs.jmedchem.0c00533 | ALK tyrosine kinase receptor | 3 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | NUAK family SNF1-like kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine