Compound Detail
CHEMBL3604938
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Basic Information
| ChEMBL ID | CHEMBL3604938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCNQTQGWGMNITR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.99
ALogP
8
HBA
3
HBD
111.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 260.0 | nM | 6.58 | Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins... | 26275028 |
| Epidermal growth factor receptor | IC50 | = | 8600.0 | nM | 5.07 | Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in Sf9 cells pr... | 26275028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26275028 | 10.1021/acs.jmedchem.5b01082 | Epidermal growth factor receptor | 3 |
| 26275028 | 10.1021/acs.jmedchem.5b01082 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 26275028 | 10.1021/acs.jmedchem.5b01082 | NCI-H661 | 1 |
| 26275028 | 10.1021/acs.jmedchem.5b01082 | NON-PROTEIN TARGET | 1 |
| 26275028 | 10.1021/acs.jmedchem.5b01082 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine