Compound Detail
CHEMBL4475030
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
Cc1cccc(Cl)c1CN1C[C@H](C)[C@](CC(=O)O)(C(=O)NC2CCN(CC3=CCCCC3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL4475030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYNQAMDWWABRGP-RBTNQOKQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.1
MW (Da)
4.64
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CX3C chemokine receptor 1 CHEMBL4843 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CX3C chemokine receptor 1 | IC50 | = | 11.0 | nM | 7.96 | Antagonist activity at CX3CR1 (unknown origin) expressed in mouse B300 cells ass... | - |
Data from ChEMBL 36 via Core Engine