Compound Detail
CHEMBL114541
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 | CHEMBL114541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBAAFRAEWKNMJX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
4.33
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.68
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.92 | 7.92 | 11.9 | 1 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 6.68 | 6.68 | 208.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 11.9 | nM | 7.92 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO c... | 16335915 |
| D(3) dopamine receptor | EC50 | = | 208.93 | nM | 6.68 | 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