Compound Detail
CHEMBL3353412
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Basic Information
| ChEMBL ID | CHEMBL3353412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZROCWKZRGJYPTG-UHFFFAOYSA-N |
2
Targets
9
Activities
1
Assay Types
3
PK Parameters
10
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.17
ALogP
8
HBA
3
HBD
96.3
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.52 | 5.616 | 300.0 | 5 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.039 | - | Homo sapiens |
| Fu | 0.0105 | - | Mus musculus |
| Fu | 0.023 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 300.0 | nM | 6.52 | ASV & NPG EGFR Exon 20 Insertion Mutations: A compound's ability in selectively ... | - |
| Epidermal growth factor receptor | IC50 | = | 300.0 | nM | 6.52 | HER2 Exon 20 YVMA Insertion Mutation: A compound's ability in selectively inhibi... | - |
| Epidermal growth factor receptor | IC50 | = | 786.0 | nM | 6.11 | Inhibition of wild type EGFR phosphorylation in human LoVo cells preincubated fo... | 26968253 |
| Insulin-like growth factor 1 receptor | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of IGF1R (unknown origin) | 25271963 |
| Epidermal growth factor receptor | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human P... | 25271963 |
| Epidermal growth factor receptor | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of EGFR L858R/T790M double mutant phosphorylation in human NCI-H1975 ... | 25271963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25271963 | 10.1021/jm500973a | Plasma | 5 |
| 25271963 | 10.1021/jm500973a | Epidermal growth factor receptor | 3 |
| 26968253 | 10.1016/j.bmcl.2016.02.067 | Epidermal growth factor receptor | 3 |
| 25271963 | 10.1021/jm500973a | No relevant target | 2 |
| 25271963 | 10.1021/jm500973a | NON-PROTEIN TARGET | 2 |
| 25271963 | 10.1021/jm500973a | Hepatocyte | 2 |
| 25271963 | 10.1021/jm500973a | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 25271963 | 10.1021/jm500973a | Insulin-like growth factor 1 receptor | 1 |
| 25271963 | 10.1021/jm500973a | NCI-H1975 | 1 |
| 33667898 | 10.1016/j.bmc.2021.116094 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine