Compound Detail
CHEMBL1822513
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Basic Information
| ChEMBL ID | CHEMBL1822513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYLDSHGJNKWVDU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.89
ALogP
6
HBA
1
HBD
48.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin receptor CHEMBL1981 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin receptor | IC50 | = | 35.0 | nM | 7.46 | Inhibition of IR | 21859094 |
| ALK tyrosine kinase receptor | IC50 | = | 48.0 | nM | 7.32 | Inhibition of human recombinant ALK assessed as phosphorylated product using PLC... | 21859094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21859094 | 10.1021/jm200758k | ALK tyrosine kinase receptor | 1 |
| 21859094 | 10.1021/jm200758k | Insulin receptor | 1 |
Data from ChEMBL 36 via Core Engine