Compound Detail
CHEMBL3262580
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Basic Information
| ChEMBL ID | CHEMBL3262580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXJWENZEPDIULQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.2
MW (Da)
3.02
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | IC50 | 7.34 | 7.29 | 45.9 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 47.5 | mL.min-1.kg-1 | Rattus norvegicus |
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 | = | 45.9 | nM | 7.34 | MAP4K4 Inhibition Assay: The kinase activity of purified human MAP4K4 kinase dom... | - |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 45.9 | nM | 7.34 | Inhibition Assay: The kinase activity of purified human MAP4K4 kinase domain was... | - |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 58.0 | nM | 7.24 | Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LY... | 24673130 |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 58.0 | nM | 7.24 | Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay | 26288693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24673130 | 10.1021/jm500155b | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 26288693 | 10.1021/acsmedchemlett.5b00174 | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 26288693 | 10.1021/acsmedchemlett.5b00174 | Liver microsome | 1 |
| 26288693 | 10.1021/acsmedchemlett.5b00174 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine