Compound Detail
CHEMBL3785169
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Nc1ncnc2c1c(-c1cccc(OCCOC3CCCC3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1
Basic Information
| ChEMBL ID | CHEMBL3785169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPEGVUYQAYCTEZ-TYKWCNGQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
4.68
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 490.0 | nM | 6.31 | 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