Compound Detail
CHEMBL231213
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COC(CNc1cc[nH]c(=O)c1-c1nc2c(C)cc(-n3ccnc3)cc2[nH]1)c1cccc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL231213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDEUTOREOCQEBQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.9
MW (Da)
4.87
ALogP
6
HBA
3
HBD
100.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.44 | 5.44 | 3630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 3630.0 | nM | 5.44 | Inhibition of IGF1R | 17187980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17187980 | 10.1016/j.bmcl.2006.11.041 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine