Compound Detail
CHEMBL4216289
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Basic Information
| ChEMBL ID | CHEMBL4216289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQQYQPONDYAXFT-IBGZPJMESA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
0.37
ALogP
5
HBA
3
HBD
122.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Ki 1 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | Ki | 10.15 | 10.15 | 0.1 | 1 |
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 10.0 | 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 | = | 0.07 | nM | 10.15 | Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cell... | 29940120 |
| Mitogen-activated protein kinase kinase kinase 14 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of NIK (unknown origin) expressed in HEK293 cells harboring NFkB-Luc ... | 29940120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29940120 | 10.1021/acs.jmedchem.8b00678 | Mitogen-activated protein kinase kinase kinase 14 | 2 |
| 29940120 | 10.1021/acs.jmedchem.8b00678 | ADMET | 2 |
| 29940120 | 10.1021/acs.jmedchem.8b00678 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine