Compound Detail
CHEMBL3262569
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 | CHEMBL3262569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWTUEVWCDCVKJU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
2.46
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Kd 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | IC50 | 6.72 | 6.72 | 189.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Kd | 5.37 | 5.37 | 4300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | 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 kinase 4 | IC50 | = | 189.0 | nM | 6.72 | Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LY... | 24673130 |
| Mitogen-activated protein kinase kinase kinase kinase 4 | Kd | = | 4300.0 | nM | 5.37 | Binding affinity to N-terminal His-tagged C-terminal Avi-tagged MAP4K4 (unknown ... | 24673130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24673130 | 10.1021/jm500155b | Mitogen-activated protein kinase kinase kinase kinase 4 | 2 |
| 24673130 | 10.1021/jm500155b | Liver microsome | 1 |
| 24673130 | 10.1021/jm500155b | Liver | 1 |
Data from ChEMBL 36 via Core Engine