Compound Detail
CHEMBL1822523
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Basic Information
| ChEMBL ID | CHEMBL1822523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCQGBFHFVFACQU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
3.44
ALogP
10
HBA
1
HBD
73.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) CHEMBL2111387 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 6.58 | 6.58 | 266.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 38.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 8.8 | nM | 8.06 | Inhibition of human recombinant ALK assessed as phosphorylated product using PLC... | 21859094 |
| NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) | IC50 | = | 70.0 | nM | 7.16 | Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA | 21859094 |
| Insulin receptor | IC50 | = | 266.0 | nM | 6.58 | Inhibition of IR | 21859094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21859094 | 10.1021/jm200758k | ALK tyrosine kinase receptor | 1 |
| 21859094 | 10.1021/jm200758k | NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) | 1 |
| 21859094 | 10.1021/jm200758k | Insulin receptor | 1 |
| 21859094 | 10.1021/jm200758k | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine