Compound Detail
CHEMBL2113074
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O=C(Nc1ccc2[nH]ccc2c1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL2113074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHFFIZVSOADVRF-JEYPMZLKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
5.94
ALogP
2
HBA
3
HBD
60.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 10.8 | 9.6333 | 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 | = | 0.016 | nM | 10.8 | Inhibition of eotaxin-induced chemotaxis of human eosinophils | 15771462 |
| C-C chemokine receptor type 3 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expre... | 15771462 |
| C-C chemokine receptor type 3 | IC50 | = | 2.0 | nM | 8.7 | 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