Compound Detail
CHEMBL243946
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Basic Information
| ChEMBL ID | CHEMBL243946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXOSNTFGLAKMFZ-GHXNOFRVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.13
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 4.71 | 4.71 | 19500.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.38 | 4.38 | 41900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 61.0 | nM | 7.21 | Inhibition of IGF1R by ELISA | 20178321 |
| Insulin receptor | IC50 | = | 19500.0 | nM | 4.71 | Inhibition of IR by ELISA | 20178321 |
| MCF7 | IC50 | = | 41900.0 | nM | 4.38 | Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay | 20178321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17665895 | 10.1021/jm0703183 | Escherichia coli | 2 |
| 17665895 | 10.1021/jm0703183 | Staphylococcus epidermidis | 1 |
| 17665895 | 10.1021/jm0703183 | CHO | 1 |
| 20178321 | 10.1021/jm901798e | Insulin-like growth factor 1 receptor | 1 |
| 20178321 | 10.1021/jm901798e | Insulin receptor | 1 |
| 20178321 | 10.1021/jm901798e | MCF7 | 1 |
| 20178321 | 10.1021/jm901798e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine