Compound Detail
CHEMBL4539605
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C[C@H]1CN(Cc2c(Cl)cccc2C(F)(F)F)C[C@@]1(CC(=O)O)C(=O)NC1CCN(CC2=CCCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL4539605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSKULBBWMLJIIN-HFJWLAOPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.0
MW (Da)
4.96
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CX3C chemokine receptor 1 CHEMBL4843 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CX3C chemokine receptor 1 | IC50 | = | 5.0 | nM | 8.3 | Antagonist activity at CX3CR1 (unknown origin) expressed in mouse B300 cells ass... | - |
Data from ChEMBL 36 via Core Engine