Compound Detail
CHEMBL261253
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Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@H](CN2CCOCC2)C1
Basic Information
| ChEMBL ID | CHEMBL261253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQOGAQAOZACONT-LSNLESRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
5.02
ALogP
7
HBA
1
HBD
81.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human recombinant full length IGF1R expressed in mouse 3T3 cells | 17983756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17983756 | 10.1016/j.bmc.2007.10.061 | Insulin-like growth factor 1 receptor | 1 |
| 17983756 | 10.1016/j.bmc.2007.10.061 | Liver | 1 |
| 17983756 | 10.1016/j.bmc.2007.10.061 | Liver microsomes | 1 |
| 17983756 | 10.1016/j.bmc.2007.10.061 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine