Compound Detail
CHEMBL3355944
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Basic Information
| ChEMBL ID | CHEMBL3355944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYLUBFIZIDMYKO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
6.38
ALogP
3
HBA
1
HBD
28.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Probable C-C chemokine receptor type 3 CHEMBL3406 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| C-C chemokine receptor type 3 CHEMBL3928 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | Ki | = | 4.8 | nM | 8.32 | Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells | 25497216 |
| Probable C-C chemokine receptor type 3 | Ki | = | 24.0 | nM | 7.62 | Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells | 25497216 |
| C-C chemokine receptor type 3 | Ki | = | 1100.0 | nM | 5.96 | 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