Compound Detail
CHEMBL4760718
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Basic Information
| ChEMBL ID | CHEMBL4760718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAGOSAKAAICKNK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4803066 |
| Active Moiety | CHEMBL4803066 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
420.0
MW (Da)
5.18
ALogP
4
HBA
0
HBD
29.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CX3C chemokine receptor 1 CHEMBL4843 | IC50 | 5.41 | 5.41 | 3933.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CX3C chemokine receptor 1 | IC50 | = | 3932.99 | nM | 5.41 | GPCR PRESTO-Tango dose-response in antagonist mode with target: CX3CR1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 346 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 345 |
| - | 10.6019/CHEMBL4689842 | U2OS | 342 |
| - | 10.6019/CHEMBL5060014 | Tyrosine-protein kinase ABL1 | 2 |
| - | 10.6019/CHEMBL5060014 | Aurora kinase A | 2 |
| - | 10.6019/CHEMBL5060014 | Bromodomain-containing protein 4 | 2 |
| - | 10.6019/CHEMBL5060014 | Peregrin | 2 |
| - | 10.6019/CHEMBL5060014 | Cyclin-dependent kinase 2 | 2 |
| - | 10.6019/CHEMBL5060014 | Casein kinase I isoform delta | 2 |
| - | 10.6019/CHEMBL5060014 | Fibroblast growth factor receptor 3 | 2 |
| - | 10.6019/CHEMBL5060014 | Glycogen synthase kinase-3 beta | 2 |
| - | 10.6019/CHEMBL5060014 | Mitogen-activated protein kinase 1 | 2 |
| - | 10.6019/CHEMBL5060014 | Transcription intermediary factor 1-alpha | 2 |
| - | 10.6019/CHEMBL5724581 | B cell | 2 |
| - | 10.6019/CHEMBL5442687 | CX3C chemokine receptor 1 | 1 |
| - | 10.6019/CHEMBL5724562 | B cell | 1 |
Data from ChEMBL 36 via Core Engine