Compound Detail
CHEMBL365820
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CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)ccc1F
Basic Information
| ChEMBL ID | CHEMBL365820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXFNYXARXWCONM-BCQCSXDESA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
5.80
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 10.82 | 9.3467 | 0.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 0.015 | nM | 10.82 | Inhibition of eotaxin-induced chemotaxis of human eosinophils | 15771462 |
| C-C chemokine receptor type 3 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expre... | 15771462 |
| C-C chemokine receptor type 3 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of calcium mobilization in human eosinophils | 15771462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771462 | 10.1021/jm049530m | C-C chemokine receptor type 3 | 3 |
Data from ChEMBL 36 via Core Engine