Compound Detail
CHEMBL475080
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COc1cc(N2CCN(C(C)C)CC2)ccc1N(C)c1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Basic Information
| ChEMBL ID | CHEMBL475080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJGFQDYSGOPSNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
4.25
ALogP
8
HBA
3
HBD
115.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 50.0 | nM | 7.3 | Inhibition of GST-tagged human IGF1R expressed in Sf9 cells by Wallac Victor flu... | 19056263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19056263 | 10.1016/j.bmcl.2008.11.046 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine