Compound Detail
CHEMBL5888007
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COc1cc(C2CCN(C3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Basic Information
| ChEMBL ID | CHEMBL5888007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYRAVFSBUZWXNC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
600.2
MW (Da)
5.27
ALogP
9
HBA
3
HBD
111.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.4 | 7.4125 | 4.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 78.0 | nM | 7.11 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 600.0 | nM | 6.22 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
Data from ChEMBL 36 via Core Engine