Compound Detail
CHEMBL5202759
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COc1cc(N(C)CCN(C)C)c(NC(=O)/C(C#N)=C/C(C)(C)NC(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1
Basic Information
| ChEMBL ID | CHEMBL5202759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLSIZPKPMOPGBN-MGAZKENVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1150.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCC827 CHEMBL4296422 | IC50 | 6.26 | 6.26 | 544.0 | 1 |
| von Hippel-Lindau disease tumor suppressor/EGFR CHEMBL4523998 | IC50 | 6.07 | 6.07 | 857.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.63 | 5.63 | 2360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCC827 | IC50 | = | 544.0 | nM | 6.26 | Antiproliferative activity against human HCC827 cells expressing EGFR deletion19... | 35254067 |
| von Hippel-Lindau disease tumor suppressor/EGFR | IC50 | = | 857.0 | nM | 6.07 | Protac activity at VHL/EGFR L858R/T790M mutant (unknown origin) assessed as inhi... | 35254067 |
| NCI-H1975 | IC50 | = | 2360.0 | nM | 5.63 | Antiproliferative activity against human NCI-H1975 cells expressing EGFR L858R/T... | 35254067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35254067 | 10.1021/acs.jmedchem.1c01827 | von Hippel-Lindau disease tumor suppressor/EGFR | 5 |
| 35254067 | 10.1021/acs.jmedchem.1c01827 | NCI-H1975 | 1 |
| 35254067 | 10.1021/acs.jmedchem.1c01827 | HCC827 | 1 |
Data from ChEMBL 36 via Core Engine