Compound Detail
CHEMBL1643963
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Basic Information
| ChEMBL ID | CHEMBL1643963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIFCIAYQABTKPW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
3.77
ALogP
8
HBA
3
HBD
111.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.52
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| PC-9 CHEMBL614102 | EC50 | 6.52 | 6.37 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of N-terminal GST-tagged wild type human NUAK1 expressed in Escherich... | 33356242 |
| PC-9 | EC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against EGFR-deficient human PC9 cells | 21208802 |
| PC-9 | EC50 | = | 600.0 | nM | 6.22 | Antiproliferative activity against growth-resistant human PC9 cells expressing E... | 21208802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21208802 | 10.1016/j.bmcl.2010.12.036 | PC-9 | 2 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | NUAK family SNF1-like kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine