Compound Detail
CHEMBL3787271
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CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4cc(OCC56CCC(CC5)O6)ccc4F)c4c(N)ncnc43)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL3787271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOTQLOMFEGZDSX-NMHAHAAISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
3.78
ALogP
8
HBA
1
HBD
98.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.11 | 7.9733 | 7.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 7.8 | nM | 8.11 | Inhibition of full length IGF-1 receptor (unknown origin) transfected in Ba/F3 c... | 26951753 |
| Insulin-like growth factor 1 receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition of full length IGF-1 receptor (unknown origin) autophosphorylation tr... | 26951753 |
| Insulin-like growth factor 1 receptor | IC50 | = | 13.0 | nM | 7.89 | Inhibition of IGF-1 receptor (unknown origin) in presence of [gamma33P]ATP | 26951753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26951753 | 10.1016/j.bmcl.2016.02.075 | Insulin-like growth factor 1 receptor | 3 |
| 26951753 | 10.1016/j.bmcl.2016.02.075 | ADMET | 3 |
| 26951753 | 10.1016/j.bmcl.2016.02.075 | Liver microsome | 1 |
| 26951753 | 10.1016/j.bmcl.2016.02.075 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine