Compound Detail
CHEMBL226710
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Basic Information
| ChEMBL ID | CHEMBL226710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQKBSQAFXLEIII-XCVCLJGOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
258.7
MW (Da)
3.94
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromal cell-derived factor 1 CHEMBL3286074 | Ki | 6.2 | 6.2 | 625.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromal cell-derived factor 1 | Ki | = | 625.0 | nM | 6.2 | Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhib... | 30106292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18280009 | 10.1016/j.ejmech.2007.12.027 | Ogataea angusta | 17 |
| 18280009 | 10.1016/j.ejmech.2007.12.027 | Saccharomyces cerevisiae | 13 |
| 17007965 | 10.1016/j.ejmech.2006.08.012 | Candida albicans | 3 |
| 18280009 | 10.1016/j.ejmech.2007.12.027 | Kluyveromyces lactis | 3 |
| 18584918 | 10.1016/j.ejmech.2008.05.010 | Staphylococcus aureus | 2 |
| 18584918 | 10.1016/j.ejmech.2008.05.010 | Escherichia coli | 1 |
| 30106292 | 10.1021/acs.jmedchem.8b00657 | Stromal cell-derived factor 1 | 1 |
| 30106292 | 10.1021/acs.jmedchem.8b00657 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine