Compound Detail
CHEMBL3355964
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
CCNC(=O)N[C@@H](CCN1CCC(c2c(CC)[nH]c3cc(F)ccc23)CC1)Cc1ccc(Cl)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL3355964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVUCRPZZSWTVEJ-NRFANRHFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
533.5
MW (Da)
6.68
ALogP
2
HBA
3
HBD
60.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Probable C-C chemokine receptor type 3 CHEMBL3406 | Ki | 7.19 | 7.19 | 64.0 | 1 |
| C-C chemokine receptor type 3 CHEMBL3928 | Ki | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | Ki | = | 11.0 | nM | 7.96 | Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells | 25497216 |
| Probable C-C chemokine receptor type 3 | Ki | = | 64.0 | nM | 7.19 | Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells | 25497216 |
| C-C chemokine receptor type 3 | Ki | = | 320.0 | nM | 6.5 | 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