Compound Detail
CHEMBL3786598
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CC(C)(C)OCCOc1cccc(-c2cn([C@H]3C[C@@H](CN4CCC4)C3)c3ncnc(N)c23)c1
Basic Information
| ChEMBL ID | CHEMBL3786598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEDRHJONZLPWDT-PUZFROQSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.53
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 160.0 | nM | 6.8 | Inhibition of IGF-1 receptor (unknown origin) | 26951750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine