Compound Detail
CHEMBL4452433
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
Basic Information
| ChEMBL ID | CHEMBL4452433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFSVPTKSONMNBC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.9
MW (Da)
4.65
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 6.8 | 6.075 | 158.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | IC50 | = | 158.49 | nM | 6.8 | Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cel... | 30476826 |
| C-X-C chemokine receptor type 4 | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cell... | 30476826 |
| C-X-C chemokine receptor type 4 | IC50 | = | 1000.0 | nM | 6.0 | Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HE... | 30476826 |
| C-X-C chemokine receptor type 4 | IC50 | = | 3162.28 | nM | 5.5 | Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T... | 30476826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30476826 | 10.1016/j.ejmech.2018.10.060 | C-X-C chemokine receptor type 4 | 10 |
Data from ChEMBL 36 via Core Engine