Compound Detail
CHEMBL4763380
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Basic Information
| ChEMBL ID | CHEMBL4763380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMTCXQSTPVRURZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
1.71
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek2 CHEMBL3835 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human recombinant full length His-tagged NEK2 expressed in baculov... | 33479670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479670 | 10.1039/d0md00074d | Serine/threonine-protein kinase Nek2 | 1 |
Data from ChEMBL 36 via Core Engine