Compound Detail
CHEMBL589744
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Basic Information
| ChEMBL ID | CHEMBL589744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKPHVGNWQVVMBC-XBXARRHUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
2.33
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.29 | 4.29 | 50800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of IGF1R by ELISA | 20178321 |
| MCF7 | IC50 | = | 50800.0 | nM | 4.29 | Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay | 20178321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20178321 | 10.1021/jm901798e | Insulin-like growth factor 1 receptor | 1 |
| 20178321 | 10.1021/jm901798e | Insulin receptor | 1 |
| 20178321 | 10.1021/jm901798e | MCF7 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine