Compound Detail
CHEMBL5182271
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COCCN1CCN(CCn2ccc(Nc3ncc4c(n3)C(C)Cc3nn(C)c(-c5ccccc5)c3-4)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL5182271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUQOZTZPJMJBMT-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.7
MW (Da)
3.41
ALogP
10
HBA
1
HBD
89.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Kd 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | Kd | 8.05 | 8.05 | 9.0 | 1 |
| Insulin receptor CHEMBL1981 | Kd | 7.92 | 7.92 | 12.0 | 1 |
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 6.39 | 6.39 | 411.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human IGF1R expressed in mouse IGF1R knockout MEF cells | 33356242 |
| Insulin receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human InsR expressed in mouse IGF1R knockout MEF cells | 33356242 |
| Insulin-like growth factor 1 receptor | Kd | = | 9.0 | nM | 8.05 | Binding affinity to human IGF1R expressed in mouse IGF1R knockout MEF cells asse... | 33356242 |
| Insulin receptor | Kd | = | 12.0 | nM | 7.92 | Binding affinity to human InsR expressed in mouse IGF1R knockout MEF cells asses... | 33356242 |
| NUAK family SNF1-like kinase 1 | IC50 | = | 411.0 | nM | 6.39 | Inhibition of NUAK1 (unknown origin) | 33356242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33356242 | 10.1021/acs.jmedchem.0c00533 | Insulin-like growth factor 1 receptor | 2 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | Insulin receptor | 2 |
| 33356242 | 10.1021/acs.jmedchem.0c00533 | NUAK family SNF1-like kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine