Compound Detail
CHEMBL504398
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O=C(Nc1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(CN4CCCC4)c3)n2)c1)c1c(F)cccc1F
Basic Information
| ChEMBL ID | CHEMBL504398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYQKWUPJOALDBD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.7
MW (Da)
7.33
ALogP
7
HBA
2
HBD
87.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.75 | 5.99 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 180.0 | nM | 6.75 | Inhibition of GST-tagged IGF1R (957-1367) expressed in baculovirus by time-resol... | 19101143 |
| Insulin-like growth factor 1 receptor | IC50 | = | 5930.0 | nM | 5.23 | Inhibition of human IGF1R autophosphorylation in transfected mouse NIH3T3 cells | 19101143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19101143 | 10.1016/j.bmcl.2008.11.058 | Insulin-like growth factor 1 receptor | 2 |
Data from ChEMBL 36 via Core Engine