Compound Detail
CHEMBL400657
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Cn1c(Cc2ccccc2)nc2cc(-c3nn([C@H]4CC[C@H](N5CCOCC5)CC4)c4ncnc(N)c34)ccc21
Basic Information
| ChEMBL ID | CHEMBL400657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQAYYBDHDBJGKE-YHBQERECSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.7
MW (Da)
4.37
ALogP
9
HBA
1
HBD
99.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.46 | 7.17 | 35.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 35.0 | nM | 7.46 | Inhibition of human IGF1R expressed in Sf21 cells by time-resolved fluorescence ... | 17689078 |
| Insulin-like growth factor 1 receptor | IC50 | = | 132.0 | nM | 6.88 | Inhibition IGF1R phosphorylation in human MiaPaCa2 cells | 17689078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17689078 | 10.1016/j.bmcl.2007.07.037 | Insulin-like growth factor 1 receptor | 2 |
Data from ChEMBL 36 via Core Engine