Compound Detail
CHEMBL426414
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 | CHEMBL426414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBUZHZJOHCSLDL-SOAUALDESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.69
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.1
Ki 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| D(3) dopamine receptor CHEMBL234 | Kd | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 3.4 | nM | 8.47 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO c... | 16335915 |
| D(3) dopamine receptor | Kd | = | 7.943 | nM | 8.1 | Intrinsic activity against dopamine receptor D3 by Eu-GTP binding assay | 16335915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335915 | 10.1021/jm050729o | D(3) dopamine receptor | 3 |
Data from ChEMBL 36 via Core Engine