Compound Detail
CHEMBL464971
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COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2cc(F)cc(F)c2C(N)=O)c2cc[nH]c2n1
Basic Information
| ChEMBL ID | CHEMBL464971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQMKFSBHRHOBPI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
4.36
ALogP
8
HBA
4
HBD
124.4
PSA (Ų)
0.26
QED
1
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 | 8.4167 | 0.8 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 117.0 | ng.hr/ml/mg/kg | Rattus norvegicus |
| CL | 46.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 372.72 | nM | Rattus norvegicus |
| F | 37.0 | % | Rattus norvegicus |
| T1/2 | 39.0 | 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 GST-tagged human IGF1R expressed in Sf9 cells by Wallac Victor flu... | 19056263 |
| Insulin-like growth factor 1 receptor | IC50 | = | 0.8 | nM | 9.1 | Inhibition of IGF1R | 19081716 |
| Insulin-like growth factor 1 receptor | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human IGF1R phosphorylation expressed in HEK293 cells by DELFIA | 19056263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19056263 | 10.1016/j.bmcl.2008.11.046 | Rattus norvegicus | 5 |
| 19056263 | 10.1016/j.bmcl.2008.11.046 | 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-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine