Compound Detail
CHEMBL5956645
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 | CHEMBL5956645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHORMSFWFAFWPW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
4.43
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.41 | 9.41 | 0.4 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.68 | 7.68 | 21.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.39 | nM | 9.41 | Binding Assay: The affinities of the target compounds were determined using radi... | - |
| D(3) dopamine receptor | Ki | = | 0.39 | nM | 9.41 | Radioligand Binding Assay: Stably transfected HEK cells expressing the human D2-... | - |
| D(2) dopamine receptor | Ki | = | 21.0 | nM | 7.68 | Binding Assay: The affinities of the target compounds were determined using radi... | - |
| D(2) dopamine receptor | Ki | = | 21.0 | nM | 7.68 | Radioligand Binding Assay: Stably transfected HEK cells expressing the human D2-... | - |
Data from ChEMBL 36 via Core Engine