Compound Detail
CHEMBL226813
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Basic Information
| ChEMBL ID | CHEMBL226813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHYIQEBEGTWEDV-GHXNOFRVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
321.8
MW (Da)
4.09
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 4.1 | 4.1 | 79500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of IGF1R by ELISA | 20178321 |
| Enoyl-acyl-carrier protein reductase | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
| Insulin receptor | IC50 | = | 79500.0 | nM | 4.1 | Inhibition of IR by ELISA | 20178321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17477517 | 10.1021/jm061257w | Enoyl-acyl-carrier protein reductase | 3 |
| 20178321 | 10.1021/jm901798e | Insulin-like growth factor 1 receptor | 1 |
| 20178321 | 10.1021/jm901798e | Insulin receptor | 1 |
| 20178321 | 10.1021/jm901798e | MCF7 | 1 |
| 21873052 | 10.1016/j.bmcl.2011.07.107 | 80S Ribosome | 1 |
Data from ChEMBL 36 via Core Engine