Compound Detail
CHEMBL1672303
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 | CHEMBL1672303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RONFPASSWXANLI-GOSISDBHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
4.37
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.96 | 7.665 | 1.1 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.55 | 6.535 | 28.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1.1 | nM | 8.96 | Displacement of [3H]domperidone from human cloned dopamine D3 receptor high bind... | 21666830 |
| D(2) dopamine receptor | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]domperidone from dopamine D2 receptor high binding site in S... | 21666830 |
| D(3) dopamine receptor | Ki | = | 430.0 | nM | 6.37 | Displacement of [3H]domperidone from human cloned dopamine D3 receptor expressed... | 21666830 |
| D(2) dopamine receptor | Ki | = | 3000.0 | nM | 5.52 | Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprag... | 21666830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21666830 | 10.1021/ml1001689 | D(2) dopamine receptor | 2 |
| 21666830 | 10.1021/ml1001689 | D(3) dopamine receptor | 2 |
| 21666830 | 10.1021/ml1001689 | D(1A) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine