Compound Detail
CHEMBL5568101
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CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2cccc(N3CCOCC3)c2)n1)c1nccs1
Basic Information
| ChEMBL ID | CHEMBL5568101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEQKVHMVTSMQCL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
3.51
ALogP
11
HBA
2
HBD
104.5
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | IC50 | 7.94 | 7.94 | 11.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 | IC50 | = | 11.52 | nM | 7.94 | Inhibition of NIK (unknown origin) incubated 30 to 60 mins by ADP-Glo Kinase | 38563549 |
| Mitogen-activated protein kinase kinase kinase 14 | IC50 | = | 11.52 | nM | 7.94 | Inhibition of NIK (unknown origin) incubated 30 to 60 mins by ADP-Glo Kinase ass... | 38563549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38563549 | 10.1021/acs.jmedchem.3c02266 | Mitogen-activated protein kinase kinase kinase 14 | 2 |
Data from ChEMBL 36 via Core Engine