Compound Detail
CHEMBL1809229
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COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(F)cc(F)cn23)n1
Basic Information
| ChEMBL ID | CHEMBL1809229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOUATNRHHSRWML-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.9
MW (Da)
4.14
ALogP
8
HBA
1
HBD
87.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.66 | 7.64 | 22.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 22.0 | nM | 7.66 | Inhibition of IGF1R | 21775140 |
| Insulin-like growth factor 1 receptor | IC50 | = | 24.0 | nM | 7.62 | Inhibition of IGF1-induced autophosphorylation of human recombinant IGF1R expres... | 21775140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21775140 | 10.1016/j.bmcl.2011.06.093 | Insulin-like growth factor 1 receptor | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine