Compound Detail
CHEMBL5996490
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COc1cc(N2CCC(N3CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Basic Information
| ChEMBL ID | CHEMBL5996490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBDBQWQCAHCHKG-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
587.1
MW (Da)
3.87
ALogP
10
HBA
4
HBD
123.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 10.0 | 8.2375 | 0.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.1 | nM | 10.0 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 160.0 | nM | 6.8 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
Data from ChEMBL 36 via Core Engine