Compound Detail
CHEMBL401766
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Basic Information
| ChEMBL ID | CHEMBL401766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPPPFLDICCXGSJ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
3
PK Parameters
9
Publications
0
Known Names
Molecular Properties
453.9
MW (Da)
3.03
ALogP
7
HBA
3
HBD
103.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.92 | 6.7533 | 120.0 | 3 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 40989879.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 23150.43 | ng.hr.mL-1 | Mus musculus |
| Fu | 0.017 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 110.0 | nM | 6.96 | Antiproliferative activity against mouse Sal cells expressing human IGF-1R asses... | 20153189 |
| Insulin-like growth factor 1 receptor | IC50 | = | 120.0 | nM | 6.92 | Inhibition of IGF1R | 18258427 |
| Insulin-like growth factor 1 receptor | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human recombinant IGF-1R tyrosine kinase expressed in baculovirus ... | 20153189 |
| Insulin-like growth factor 1 receptor | IC50 | = | 376.0 | nM | 6.42 | Inhibition of IGF1R expressed in SAL cells | 18258427 |
| Cytochrome P450 3A4 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay | 20153189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18258427 | 10.1016/j.bmcl.2008.01.049 | Insulin-like growth factor 1 receptor | 2 |
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Plasma | 2 |
| 18258427 | 10.1016/j.bmcl.2008.01.049 | Serum | 1 |
| 18258427 | 10.1016/j.bmcl.2008.01.049 | Mus musculus | 1 |
| 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 |
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Cytochrome P450 3A4 | 1 |
| 20153189 | 10.1016/j.bmcl.2010.01.087 | NON-PROTEIN TARGET | 1 |
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine