Compound Detail
CHEMBL1222790
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O=C1CC[C@@H](c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)N1C(=O)c1ccc(F)nc1
Basic Information
| ChEMBL ID | CHEMBL1222790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDHRVVQUROWSOW-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
3.11
ALogP
8
HBA
2
HBD
121.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.96 | 7.125 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 11.0 | nM | 7.96 | Inhibition of IGF1R | 20675137 |
| Insulin-like growth factor 1 receptor | IC50 | = | 508.0 | nM | 6.29 | Inhibition of IGF1R in IGF1R-SAL cells | 20675137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20675137 | 10.1016/j.bmcl.2010.07.045 | Insulin-like growth factor 1 receptor | 2 |
| 20675137 | 10.1016/j.bmcl.2010.07.045 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine