Compound Detail
CHEMBL465943
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CCCN(CCCc1ccc(F)cc1)C[C@@H]1OC(=O)N(C)C[C@H]1NC(=O)Nc1nc(C)cs1
Basic Information
| ChEMBL ID | CHEMBL465943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IETOCDITJQQYHS-UXHICEINSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
3.88
ALogP
6
HBA
2
HBD
86.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 8.04 | 8.04 | 9.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 9.2 | nM | 8.04 | Binding affinity to CCR3 receptor | 19010676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19010676 | 10.1016/j.bmcl.2008.11.002 | C-C chemokine receptor type 3 | 1 |
| 19010676 | 10.1016/j.bmcl.2008.11.002 | Eosinophil | 1 |
| 19010676 | 10.1016/j.bmcl.2008.11.002 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine