Compound Detail
CHEMBL339550
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Basic Information
| ChEMBL ID | CHEMBL339550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKILOUUCRGDELO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.64
ALogP
7
HBA
2
HBD
109.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin receptor CHEMBL3187 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Epidermal growth factor receptor CHEMBL3608 | IC50 | 4.64 | 4.64 | 22700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin receptor | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of insulin receptor mediated mitogenesis of NIH3T3 cells | 9748366 |
| Epidermal growth factor receptor | IC50 | = | 22700.0 | nM | 4.64 | Inhibition of Epidermal growth factor receptor mediated mitogenesis of NIH3T3 ce... | 9748366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748366 | 10.1021/jm980294n | Epidermal growth factor receptor | 1 |
| 9748366 | 10.1021/jm980294n | Insulin receptor | 1 |
| 9748366 | 10.1021/jm980294n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine