Compound Detail
CHEMBL447581
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COc1cc2c(Nc3ccc(Sc4nc5cc(C)ccc5n4C)c(Cl)c3)c(C#N)cnc2cc1NCCCN(C)C
Basic Information
| ChEMBL ID | CHEMBL447581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDOGCAWCCAFUQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
586.2
MW (Da)
7.22
ALogP
9
HBA
2
HBD
91.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.54 | 6.54 | 291.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 291.0 | nM | 6.54 | Inhibition of GST-IGF1R | 19041240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19041240 | 10.1016/j.bmcl.2008.11.037 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine