Compound Detail
CHEMBL1964270
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COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(-n2[nH]c(=O)c3ccccc32)c2cc[nH]c2n1
Basic Information
| ChEMBL ID | CHEMBL1964270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOGQEYCMJSZFEE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
3.87
ALogP
8
HBA
3
HBD
107.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.22 | 7.24 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of IGF1R | 19081716 |
| Insulin-like growth factor 1 receptor | IC50 | = | 546.0 | nM | 6.26 | Inhibition of IGF1R phosphorylation by cellular assay | 19081716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19081716 | 10.1016/j.bmcl.2008.11.065 | Insulin-like growth factor 1 receptor | 2 |
Data from ChEMBL 36 via Core Engine