Compound Detail
CHEMBL30560
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 | CHEMBL30560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIHPGAYIYYGOIP-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
1.51
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.48
EC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.48 | 6.48 | 334.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.17 | 6.17 | 683.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 334.0 | nM | 6.48 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| D(3) dopamine receptor | Ki | = | 683.0 | nM | 6.17 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| Unchecked | EC50 | = | 2200.0 | nM | 5.66 | Alpha-1 adrenergic receptor activation causing vasoconstriction in the isolated ... | 6120238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863800 | 10.1021/jm960345l | D(2) dopamine receptor | 2 |
| 2913308 | 10.1021/jm00122a032 | Phenylethanolamine N-methyltransferase | 1 |
| 8863800 | 10.1021/jm960345l | D(3) dopamine receptor | 1 |
| 8863800 | 10.1021/jm960345l | D(4) dopamine receptor | 1 |
| 6120238 | 10.1021/jm00344a009 | Unchecked | 1 |
| 6120238 | 10.1021/jm00344a009 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine