Compound Detail
CHEMBL255779
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 | CHEMBL255779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXYAOAKGBVXRKX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
5.02
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Segment polarity protein dishevelled homolog DVL-3 CHEMBL6028 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Segment polarity protein dishevelled homolog DVL-1 CHEMBL6027 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Segment polarity protein dishevelled homolog DVL-3 | IC50 | = | 23000.0 | nM | 4.64 | Antagonist activity at human Dvl3 assessed as inhibition of interaction between ... | 18180158 |
| Segment polarity protein dishevelled homolog DVL-1 | IC50 | = | 49000.0 | nM | 4.31 | Antagonist activity at human Dvl1 assessed as inhibition of interaction between ... | 18180158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18180158 | 10.1016/j.bmcl.2007.12.039 | Segment polarity protein dishevelled homolog DVL-1 | 3 |
| 18180158 | 10.1016/j.bmcl.2007.12.039 | HepG2 | 2 |
| 18180158 | 10.1016/j.bmcl.2007.12.039 | SJRH30 | 2 |
| 18180158 | 10.1016/j.bmcl.2007.12.039 | BJ | 2 |
| 18180158 | 10.1016/j.bmcl.2007.12.039 | Segment polarity protein dishevelled homolog DVL-3 | 1 |
Data from ChEMBL 36 via Core Engine