Compound Detail
CHEMBL5190513
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Basic Information
| ChEMBL ID | CHEMBL5190513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMCUQWBFJYNLQS-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.8
MW (Da)
3.95
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.17 | 6.08 | 676.7 | 2 |
| BaF3 CHEMBL614524 | IC50 | 5.56 | 5.4467 | 2762.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 676.7 | nM | 6.17 | Inhibition of EGFR (unknown origin) L858R/T790M mutant preincubated with compoun... | 36384036 |
| Epidermal growth factor receptor | IC50 | = | 1026.7 | nM | 5.99 | Inhibition of EGFR (unknown origin) Del19 mutant preincubated with compound 30 m... | 36384036 |
| BaF3 | IC50 | = | 2762.8 | nM | 5.56 | Antiproliferative activity against mouse BaF3 cells expressing De119/C797S asses... | 36384036 |
| BaF3 | IC50 | = | 3101.2 | nM | 5.51 | Antiproliferative activity against mouse BaF3 cells expressing Del19 assessed as... | 36384036 |
| BaF3 | IC50 | = | 5355.5 | nM | 5.27 | Antiproliferative activity against mouse BaF3 cells expressing L858R assessed as... | 36384036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36384036 | 10.1021/acs.jmedchem.2c01041 | Epidermal growth factor receptor | 10 |
| 36384036 | 10.1021/acs.jmedchem.2c01041 | Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1) | 4 |
| 36384036 | 10.1021/acs.jmedchem.2c01041 | RAC-alpha serine/threonine-protein kinase | 4 |
| 36384036 | 10.1021/acs.jmedchem.2c01041 | BaF3 | 3 |
| 36384036 | 10.1021/acs.jmedchem.2c01041 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine