Compound Detail
CHEMBL5923332
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COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(N)=O)CSC(N)=O
Basic Information
| ChEMBL ID | CHEMBL5923332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBQIDXXDCFMBTI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
645.1
MW (Da)
5.93
ALogP
10
HBA
4
HBD
171.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 50.0 | nM | 7.3 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
| Epidermal growth factor receptor | IC50 | = | 50.0 | nM | 7.3 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
Data from ChEMBL 36 via Core Engine