Compound Detail
CHEMBL5176588
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Basic Information
| ChEMBL ID | CHEMBL5176588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNAXUDDDHXNMQX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
3.75
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCC827 CHEMBL4296422 | IC50 | 8.29 | 8.29 | 5.2 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.59 | 6.59 | 255.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 4.65 | 4.65 | 22590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCC827 | IC50 | = | 5.17 | nM | 8.29 | Antiproliferative activity against human HCC827 cells harbouring EGFR L858R muta... | 35259690 |
| Epidermal growth factor receptor | IC50 | = | 255.0 | nM | 6.59 | Inhibition of wild-type EGFR (14 to 721 residues) (unknown origin) by western bl... | 35259690 |
| NCI-H1975 | IC50 | = | 22590.0 | nM | 4.65 | Antiproliferative activity against human NCI-H1975 cells harbouring EGFR T790M/L... | 35259690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35259690 | 10.1016/j.ejmech.2022.114249 | Epidermal growth factor receptor | 1 |
| 35259690 | 10.1016/j.ejmech.2022.114249 | HCC827 | 1 |
| 35259690 | 10.1016/j.ejmech.2022.114249 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine