Compound Detail
CHEMBL4206671
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
Basic Information
| ChEMBL ID | CHEMBL4206671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNMQQQLVQVPFLP-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
1.07
ALogP
5
HBA
2
HBD
101.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | Ki | 6.46 | 6.46 | 350.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.8 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 | Ki | = | 350.0 | nM | 6.46 | Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cell... | 29940120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29940120 | 10.1021/acs.jmedchem.8b00678 | ADMET | 1 |
| 29940120 | 10.1021/acs.jmedchem.8b00678 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
| 29940120 | 10.1021/acs.jmedchem.8b00678 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine