Compound Detail
CHEMBL3623137
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Basic Information
| ChEMBL ID | CHEMBL3623137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDOJQLHPRVGYGJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
2.37
ALogP
5
HBA
2
HBD
101.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 10.1 | 10.1 | 0.1 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 28.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 0.079 | nM | 10.1 | Anti-angiogenesis activity in HUVEC assessed as inhibition of cell migration | 26288693 |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 3.5 | nM | 8.46 | Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay | 26288693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26288693 | 10.1021/acsmedchemlett.5b00174 | MDCK | 2 |
| 26288693 | 10.1021/acsmedchemlett.5b00174 | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 26288693 | 10.1021/acsmedchemlett.5b00174 | HUVEC | 1 |
| 26288693 | 10.1021/acsmedchemlett.5b00174 | Liver microsome | 1 |
| 26288693 | 10.1021/acsmedchemlett.5b00174 | Liver | 1 |
Data from ChEMBL 36 via Core Engine