Compound Detail
CHEMBL3355953
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CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL3355953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXCXDQFFJYBNTP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
7.53
ALogP
4
HBA
1
HBD
45.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Probable C-C chemokine receptor type 3 CHEMBL3406 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| C-C chemokine receptor type 3 CHEMBL3928 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | Ki | = | 4.9 | nM | 8.31 | Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells | 25497216 |
| Probable C-C chemokine receptor type 3 | Ki | = | 120.0 | nM | 6.92 | Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells | 25497216 |
| C-C chemokine receptor type 3 | Ki | = | 5500.0 | nM | 5.26 | 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 |
| 25497216 | 10.1016/j.bmcl.2014.11.063 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine