Compound Detail
CHEMBL1762547
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Basic Information
| ChEMBL ID | CHEMBL1762547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKSHELMUSUNFMM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
3.85
ALogP
9
HBA
2
HBD
86.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 8.4 | 8.125 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human EPHB4 | 21441027 |
| Ephrin type-B receptor 4 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human EphB4 autophosphorylation expressed in CHOK1 cells | 21441027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21441027 | 10.1016/j.bmcl.2011.03.009 | Ephrin type-B receptor 4 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 21441027 | 10.1016/j.bmcl.2011.03.009 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine