Compound Detail
CHEMBL3967372
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CCOc1cc(C2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC(C)C)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
Basic Information
| ChEMBL ID | CHEMBL3967372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXHKADSZBWDTQA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
809.9
MW (Da)
8.14
ALogP
11
HBA
2
HBD
140.1
PSA (Ų)
0.11
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human GST-rTEV-tagged IGF1R (957 to 1367 residues) expressed in ba... | - |
| Insulin receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human GST-rTEV-tagged insulin receptor (979 to 1382 residues) expr... | - |
Data from ChEMBL 36 via Core Engine