Compound Detail
CHEMBL1964272
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CCCN1CCC=C(c2ccc(Nc3nc(Nc4ccccc4C(N)=O)c4cc[nH]c4n3)c(F)c2)C1
Basic Information
| ChEMBL ID | CHEMBL1964272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGLNKCUZVMEOBR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
5.18
ALogP
6
HBA
4
HBD
112.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.8 | 7.65 | 1.6 | 2 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 1.6 | nM | 8.8 | Inhibition of GST-tagged human IGF1R expressed in Sf9 cells by Wallac Victor flu... | 19056263 |
| Insulin-like growth factor 1 receptor | IC50 | = | 317.0 | nM | 6.5 | Inhibition of human IGF1R phosphorylation expressed in HEK293 cells by DELFIA | 19056263 |
| Aurora kinase B | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Aurora B | 19056263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19056263 | 10.1016/j.bmcl.2008.11.046 | Insulin-like growth factor 1 receptor | 2 |
| 19056263 | 10.1016/j.bmcl.2008.11.046 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine