Compound Detail
CHEMBL394456
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 | CHEMBL394456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDESUHCGHCYLHU-NYYWCZLTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
4.23
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6.3 | nM | 8.2 | Displacement of [125I](E)-3-(4-(Dimethylamino-phenyl)-1-(4-iodophenyl)prop-2-en-... | 17826102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17826102 | 10.1016/j.bmc.2007.07.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine