Compound Detail
CHEMBL4447700
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Basic Information
| ChEMBL ID | CHEMBL4447700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFLPERLYBCBHLO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
5.27
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epithelial discoidin domain-containing receptor 1 CHEMBL5319 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
| Discoidin domain-containing receptor 2 CHEMBL5122 | IC50 | 7.97 | 7.97 | 10.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epithelial discoidin domain-containing receptor 1 | IC50 | = | 10.5 | nM | 7.98 | Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 exp... | 31938459 |
| Discoidin domain-containing receptor 2 | IC50 | = | 10.6 | nM | 7.97 | Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 exp... | 31938459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31938459 | 10.1021/acsmedchemlett.9b00382 | Epithelial discoidin domain-containing receptor 1 | 1 |
| 31938459 | 10.1021/acsmedchemlett.9b00382 | Discoidin domain-containing receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine