Compound Detail
CHEMBL1093748
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CNC(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(N4CCOCC4)cc3[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL1093748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEKYHOSJNAOHAC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
1.73
ALogP
8
HBA
4
HBD
133.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.69 | 5.69 | 2060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 2060.0 | nM | 5.69 | Inhibition of human recombinant IGF-1R tyrosine kinase expressed in baculovirus ... | 20153189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Insulin-like growth factor 1 receptor | 1 |
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Nuclear receptor subfamily 1 group I member 2 | 1 |
Data from ChEMBL 36 via Core Engine