Compound Detail
CHEMBL5801199
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(C2CCN(C3CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Basic Information
| ChEMBL ID | CHEMBL5801199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTZKMEPLXTWROE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
586.2
MW (Da)
4.93
ALogP
9
HBA
4
HBD
120.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.64 | 6.685 | 23.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 44.0 | nM | 7.36 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 340.0 | nM | 6.47 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 5400.0 | nM | 5.27 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
Data from ChEMBL 36 via Core Engine