Compound Detail
CHEMBL447639
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(N2CCC(N3CCN(C(C)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
Basic Information
| ChEMBL ID | CHEMBL447639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QORPEHDLGSODPU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
757.9
MW (Da)
6.87
ALogP
10
HBA
2
HBD
120.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.52 | 7.855 | 3.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 216.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of GST-tagged IGF1R (957-1367) expressed in baculovirus by time-resol... | 19101143 |
| Insulin-like growth factor 1 receptor | IC50 | = | 65.0 | nM | 7.19 | Inhibition of human IGF1R autophosphorylation in transfected mouse NIH3T3 cells | 19101143 |
| NON-PROTEIN TARGET | IC50 | = | 250.0 | nM | 6.6 | Cytotoxicity against human COLO205 cells assessed as cell growth inhibition afte... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19101143 | 10.1016/j.bmcl.2008.11.058 | Insulin-like growth factor 1 receptor | 2 |
| 19101143 | 10.1016/j.bmcl.2008.11.058 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine