Compound Detail
CHEMBL5179884
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C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cc4ccccc4n3C)n2)c(OCC(F)(F)F)nc1N(C)CCN(C)C
Basic Information
| ChEMBL ID | CHEMBL5179884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJKUETOFDCVVSB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
654.7
MW (Da)
5.40
ALogP
11
HBA
2
HBD
126.7
PSA (Ų)
0.14
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Antiproliferative against in mouse Ba/F3 EGFR-Del19/T790M/C797S cells | 34323489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine