Compound Detail
CHEMBL458414
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COc1cc2c(cc1Nc1nc(Nc3ccoc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CCC2
Basic Information
| ChEMBL ID | CHEMBL458414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILSXVNQDNROHLJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
2.99
ALogP
9
HBA
4
HBD
154.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 9.52 | 8.785 | 0.3 | 2 |
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 | = | 0.3 | nM | 9.52 | Inhibition of IGF1R | 19081716 |
| Insulin-like growth factor 1 receptor | IC50 | = | 9.0 | nM | 8.05 | 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 |
Data from ChEMBL 36 via Core Engine