Compound Detail
CHEMBL515519
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COc1cc2c(cc1Nc1nc(Nc3ccoc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2
Basic Information
| ChEMBL ID | CHEMBL515519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPFRXSGEPFEUFG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
2.60
ALogP
9
HBA
4
HBD
154.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 9.1 | 8.325 | 0.8 | 2 |
| Insulin receptor CHEMBL1981 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1000.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 0.8 | nM | 9.1 | Inhibition of IGF1R | 19081716 |
| Insulin receptor | IC50 | = | 0.8 | nM | 9.1 | Inhibition of IR | 19081716 |
| Insulin-like growth factor 1 receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of IGF1R phosphorylation by cellular assay | 19081716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19081716 | 10.1016/j.bmcl.2008.11.065 | Insulin-like growth factor 1 receptor | 2 |
| 19081716 | 10.1016/j.bmcl.2008.11.065 | No relevant target | 1 |
| 19081716 | 10.1016/j.bmcl.2008.11.065 | Insulin receptor | 1 |
| 19081716 | 10.1016/j.bmcl.2008.11.065 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine