Compound Detail
CHEMBL5200931
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COc1cc(C(=O)N2CCN(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL5200931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMUZVZSTTXCLPB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.7
MW (Da)
2.51
ALogP
10
HBA
1
HBD
100.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 5.43 | 5.365 | 3670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 | IC50 | = | 3670.0 | nM | 5.43 | Inhibition of recombinant full length human His-tagged NUAK1 expressed in Baculo... | 33356242 |
| NUAK family SNF1-like kinase 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of NUAK1 (unknown origin) | 33356242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33356242 | 10.1021/acs.jmedchem.0c00533 | NUAK family SNF1-like kinase 1 | 3 |
Data from ChEMBL 36 via Core Engine