Compound Detail
CHEMBL5204647
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCS(=O)(=O)c1ccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)cc1
Basic Information
| ChEMBL ID | CHEMBL5204647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVTJOOUVDDUTJP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.7
MW (Da)
4.62
ALogP
5
HBA
2
HBD
95.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 | IC50 | = | 9.1 | nM | 8.04 | 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 | 1 |
Data from ChEMBL 36 via Core Engine