Compound Detail
CHEMBL3355959
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
CCOC(=O)c1ccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)nc1
Basic Information
| ChEMBL ID | CHEMBL3355959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCDMZYLZUNFULY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
7.40
ALogP
6
HBA
0
HBD
47.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| Probable C-C chemokine receptor type 3 CHEMBL3406 | Ki | 6.13 | 6.13 | 740.0 | 1 |
| C-C chemokine receptor type 3 CHEMBL3928 | Ki | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | Ki | = | 54.0 | nM | 7.27 | Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells | 25497216 |
| Probable C-C chemokine receptor type 3 | Ki | = | 740.0 | nM | 6.13 | Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells | 25497216 |
| C-C chemokine receptor type 3 | Ki | = | 5200.0 | nM | 5.28 | Displacement of [125J]-eotaxin-1 from rat CCR3 transfected in CHO cells | 25497216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25497216 | 10.1016/j.bmcl.2014.11.063 | C-C chemokine receptor type 3 | 2 |
| 25497216 | 10.1016/j.bmcl.2014.11.063 | Unchecked | 2 |
| 25497216 | 10.1016/j.bmcl.2014.11.063 | Probable C-C chemokine receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine