Compound Detail
CHEMBL4639487
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
CC(O)(C#Cc1ccc(N2CCC(N3CCOCC3)CC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1
Basic Information
| ChEMBL ID | CHEMBL4639487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYMQUSNSPXRUKJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
3.72
ALogP
9
HBA
3
HBD
102.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | IC50 | 7.82 | 7.82 | 15.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 | IC50 | = | 15.3 | nM | 7.82 | Inhibition of recombinant N-terminal GST-fused human NIK (319 to 947 residues) e... | 32479083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32479083 | 10.1021/acs.jmedchem.0c00055 | T-cell | 2 |
| 32479083 | 10.1021/acs.jmedchem.0c00055 | J774 | 1 |
| 32479083 | 10.1021/acs.jmedchem.0c00055 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine