Compound Detail
CHEMBL4443425
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H]1CN(Cc2c(Cl)cccc2Cl)C[C@@]1(CC(=O)O)C(=O)N[C@H]1CCN(CC2=CCCCC2)C1
Basic Information
| ChEMBL ID | CHEMBL4443425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYZBJRPMFFOVPU-STTRJGPESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
4.60
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CX3C chemokine receptor 1 CHEMBL4843 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CX3C chemokine receptor 1 | IC50 | = | 16.0 | nM | 7.8 | Antagonist activity at CX3CR1 (unknown origin) expressed in mouse B300 cells ass... | - |
Data from ChEMBL 36 via Core Engine