Compound Detail
CHEMBL4565523
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CCCC(F)CN1CCC(NC(=O)[C@]2(CC(=O)O)CN(Cc3c(Cl)cccc3C(F)(F)F)C[C@@H]2C)CC1
Basic Information
| ChEMBL ID | CHEMBL4565523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXBBOBNZJSUUDJ-BNSZOAOKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.0
MW (Da)
4.99
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CX3C chemokine receptor 1 CHEMBL4843 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CX3C chemokine receptor 1 | IC50 | = | 13.0 | nM | 7.89 | Antagonist activity at CX3CR1 (unknown origin) expressed in mouse B300 cells ass... | - |
Data from ChEMBL 36 via Core Engine