Compound Detail
CHEMBL398548
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CCCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(-c2nnnn2C)c1
Basic Information
| ChEMBL ID | CHEMBL398548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLDHNRFYDLODMW-JPYJTQIMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
3.23
ALogP
7
HBA
3
HBD
108.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 0.2 | nM | 9.7 | Displacement of [125I] eotaxin from human CCR3 receptor in CHO cells | 18160284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18160284 | 10.1016/j.bmcl.2007.11.087 | C-C chemokine receptor type 3 | 2 |
Data from ChEMBL 36 via Core Engine