Compound Detail
CHEMBL3814619
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Basic Information
| ChEMBL ID | CHEMBL3814619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLIAUMJOXWWXOY-WQRHYEAKSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.95
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Segment polarity protein dishevelled homolog DVL-1 CHEMBL6027 | Kd | 4.42 | 4.42 | 38300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 5.14 | 10'3/M/s | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Segment polarity protein dishevelled homolog DVL-1 | Kd | = | 38300.0 | nM | 4.42 | Binding affinity to His-tagged Dvl-1 PDZ domain (247 to 337 residues) (unknown o... | 27112452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27112452 | 10.1016/j.bmc.2016.03.026 | Segment polarity protein dishevelled homolog DVL-1 | 3 |
Data from ChEMBL 36 via Core Engine