Compound Detail
CHEMBL4447653
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Cc1cccc(Cl)c1CN1C[C@H](C)[C@](CC(=O)O)(C(=O)NC2CCN(CC3=CCCC3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL4447653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQFJWVDGLRZHFD-CCLHPLFOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
488.1
MW (Da)
4.25
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CX3C chemokine receptor 1 CHEMBL4843 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CX3C chemokine receptor 1 | IC50 | = | 31.0 | nM | 7.51 | Antagonist activity at CX3CR1 (unknown origin) expressed in mouse B300 cells ass... | - |
Data from ChEMBL 36 via Core Engine