Compound Detail
CHEMBL3321800
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Basic Information
| ChEMBL ID | CHEMBL3321800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXTXRVSXYRFEIE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.56
ALogP
5
HBA
2
HBD
99.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of phosphorylation of full-length myc-tagged human EphB4 overexpresse... | 25076195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25076195 | 10.1021/jm5009242 | Ephrin type-B receptor 4 | 2 |
| 25076195 | 10.1021/jm5009242 | Ephrin type-A receptor 3 | 1 |
| 35880755 | 10.1021/acs.jmedchem.2c00552 | Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | 1 |
Data from ChEMBL 36 via Core Engine