Compound Detail
CHEMBL428062
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CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CC)CCCc2ccc(F)cc2)cc(-c2nnnn2C)c1
Basic Information
| ChEMBL ID | CHEMBL428062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKBWRGSSTRYGHO-KOSHJBKYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
3.40
ALogP
7
HBA
3
HBD
108.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 9.4 | 9.4 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 0.4 | nM | 9.4 | Displacement of [125I] eotaxin from human CCR3 receptor in CHO cells | 18160284 |
| C-C chemokine receptor type 3 | IC50 | = | 0.4 | nM | 9.4 | 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 | 4 |
Data from ChEMBL 36 via Core Engine