Compound Detail
CHEMBL254776
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CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(F)cc(F)c3)C3CC3)c(=O)c2=O)c1O
Basic Information
| ChEMBL ID | CHEMBL254776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRIRIKSPUSIVKI-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
3.28
ALogP
6
HBA
3
HBD
98.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | Ki | 8.35 | 8.35 | 4.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | Ki | = | 4.5 | nM | 8.35 | Displacement of [125I]IL8 from human CXCR2 by SPA assay | 18304809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18304809 | 10.1016/j.bmcl.2008.02.010 | C-X-C chemokine receptor type 2 | 1 |
| 18304809 | 10.1016/j.bmcl.2008.02.010 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine