Compound Detail
CHEMBL433520
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Basic Information
| ChEMBL ID | CHEMBL433520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNIMVALSZBLGMI-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
3.65
ALogP
7
HBA
3
HBD
86.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.34 | 7.195 | 4.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.6 | nM | 8.34 | Inhibition of tyrosine/glutamic acid copolymer phosphorylation by epidermal grow... | 9513602 |
| Epidermal growth factor receptor | IC50 | = | 4.6 | nM | 8.34 | Inhibition of tyrosine/glutamic acid copolymer phosphorylation by epidermal grow... | 9513602 |
| Epidermal growth factor receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of autophosphorylation of epidermal growth factor receptor in A431 ce... | 9513602 |
| Epidermal growth factor receptor | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of EGF-dependent autophosphorylation of EGF-R in A431 cells | 9513602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9513602 | 10.1021/jm970641d | Mus musculus | 8 |
| 9513602 | 10.1021/jm970641d | Epidermal growth factor receptor | 4 |
| 9513602 | 10.1021/jm970641d | MCF7 | 4 |
| 9513602 | 10.1021/jm970641d | A-431 | 3 |
| 9513602 | 10.1021/jm970641d | No relevant target | 1 |
| 9513602 | 10.1021/jm970641d | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 9513602 | 10.1021/jm970641d | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 9513602 | 10.1021/jm970641d | Fibroblast growth factor receptor | 1 |
| 9513602 | 10.1021/jm970641d | Unchecked | 1 |
| 9513602 | 10.1021/jm970641d | Insulin receptor | 1 |
Data from ChEMBL 36 via Core Engine