Compound Detail
CHEMBL5206874
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O=S(=O)(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2ccnc3[nH]ccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5206874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVADFOLQKVWUEP-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
3.59
ALogP
4
HBA
4
HBD
110.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek1 CHEMBL5855 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek1 | IC50 | = | 990.0 | nM | 6.0 | Inhibition of human recombinant NEK1 (1 to 505 residues) using ULight-p70 S6K pe... | 35081715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35081715 | 10.1021/acs.jmedchem.0c02118 | Serine/threonine-protein kinase Nek1 | 2 |
Data from ChEMBL 36 via Core Engine