Compound Detail
CHEMBL271967
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Basic Information
| ChEMBL ID | CHEMBL271967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFEZMDMNDVDXDW-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.14
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.27 | 5.742 | 538.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 538.0 | nM | 6.27 | Inhibition of EphB4 (unknown origin) transfected in CHO cells using [gamma-33P]A... | 23253074 |
| Ephrin type-B receptor 4 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of EphB4 by Panvera FRET-based assay | 18271520 |
| Ephrin type-B receptor 4 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of EphB4 (unknown origin) by fluorescence-based enzymatic assay | 25911301 |
| Ephrin type-B receptor 4 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of EphB4 (unknown origin) transfected in CHO cells using Z'-LYTE TYR-... | 23253074 |
| Ephrin type-B receptor 4 | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of EphB4 by FRET assay | 18271520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23253074 | 10.1021/jm301187e | Caco-2 | 5 |
| 26907157 | 10.1016/j.ejmech.2016.01.057 | ADMET | 5 |
| 23253074 | 10.1021/jm301187e | Ephrin type-B receptor 4 | 3 |
| 18271520 | 10.1021/jm070654j | Ephrin type-B receptor 4 | 2 |
| 25911301 | 10.1016/j.bmcl.2015.04.005 | Ephrin type-B receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine