Compound Detail
CHEMBL523088
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CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(S(C)(=O)=O)c1
Basic Information
| ChEMBL ID | CHEMBL523088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGNAWYKFKAMRLN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.0
MW (Da)
3.12
ALogP
10
HBA
3
HBD
148.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 7.92 | 6.805 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of EphB4 | 18851911 |
| Ephrin type-B receptor 4 | IC50 | = | 2054.0 | nM | 5.69 | Inhibition of Myc-His-tagged EphB4 expressed in CHOK1 cells assessed as phosphor... | 18851911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18851911 | 10.1016/j.bmcl.2008.09.087 | Ephrin type-B receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine