Compound Detail
CHEMBL575669
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Cc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL575669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHMZAQRFOMCIRZ-FQEVSTJZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
3.99
ALogP
7
HBA
3
HBD
103.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.37 | 6.37 | 426.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 5.85 | 5.85 | 1422.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of IGF1R after 60 mins by fluorescence electrophoresis | 19778024 |
| NON-PROTEIN TARGET | IC50 | = | 426.0 | nM | 6.37 | Antiproliferative activity against mouse Sal cells overexpressing IGF1R assessed... | 19778024 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 1422.0 | nM | 5.85 | Inhibition of CDK2/Cyclin E after 60 mins by fluorescence electrophoresis | 19778024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19778024 | 10.1021/jm900786r | Insulin-like growth factor 1 receptor | 1 |
| 19778024 | 10.1021/jm900786r | Cyclin-dependent kinase 2/cyclin E | 1 |
| 19778024 | 10.1021/jm900786r | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine