Compound Detail
CHEMBL420709
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(NC(=O)NC(CC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL420709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCFVRBOTVITVCK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
6.47
ALogP
5
HBA
2
HBD
72.1
PSA (Ų)
0.36
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 500.0 | nM | 6.3 | Binding affinity was determined towards C-C chemokine receptor type 3 using [125... | 14505678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505678 | 10.1016/s0960-894x(03)00748-0 | C-C chemokine receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine