Compound Detail
CHEMBL4176412
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Basic Information
| ChEMBL ID | CHEMBL4176412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOTCWVXBYVMAHT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4302859 |
| Active Moiety | CHEMBL4302859 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
1.62
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | IC50 | = | 190.0 | nM | 6.72 | Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXC... | 28826086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28826086 | 10.1016/j.ejmech.2017.08.027 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine