Compound Detail
CHEMBL1232944
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Basic Information
| ChEMBL ID | CHEMBL1232944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBXZXNJCPSGVAC-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.89
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.37 | 7.08 | 43.0 | 3 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.72 | 5.69 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 43.0 | nM | 7.37 | Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins... | 26275028 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 65.0 | nM | 7.19 | Inhibition of cSrc T338M mutant (unknown origin) pre-incubated for 30 mins befor... | 26275028 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 211.0 | nM | 6.68 | Inhibition of wild type cSrc (251 to 533 residues) (unknown origin) pre-incubate... | 26275028 |
| Epidermal growth factor receptor | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of EGFR L858R mutant (unknown origin) expressed in Sf9 cells pre-incu... | 26275028 |
| Epidermal growth factor receptor | IC50 | = | 2200.0 | nM | 5.66 | 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 | 3 |
| 26275028 | 10.1021/acs.jmedchem.5b01082 | A-431 | 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