Compound Detail
CHEMBL5972461
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(N2CCC(N3CCCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Basic Information
| ChEMBL ID | CHEMBL5972461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOMBUEPXSDZARQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
572.1
MW (Da)
5.06
ALogP
9
HBA
3
HBD
111.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.96 | 8.2033 | 1.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.1 | nM | 8.96 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 8.3 | nM | 8.08 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
| Epidermal growth factor receptor | IC50 | = | 27.0 | nM | 7.57 | Inhibitory Ability Assay: The composition of the assay buffer used in the activi... | - |
Data from ChEMBL 36 via Core Engine