Compound Detail
CHEMBL457322
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COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c2nc3cccc(F)c3c(=O)n12
Basic Information
| ChEMBL ID | CHEMBL457322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUWNJSIFMUTIRM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
4.15
ALogP
8
HBA
2
HBD
90.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.1 | 6.31 | 7.9 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 18.0 | ng.hr/ml/mg/kg | Rattus norvegicus |
| CL | 47.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 81.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 7.9 | nM | 8.1 | Inhibition of IGF1R | 19081716 |
| Insulin-like growth factor 1 receptor | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of IGF1R phosphorylation by cellular assay | 19081716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19081716 | 10.1016/j.bmcl.2008.11.065 | Rattus norvegicus | 3 |
| 19081716 | 10.1016/j.bmcl.2008.11.065 | Insulin-like growth factor 1 receptor | 2 |
Data from ChEMBL 36 via Core Engine