Compound Detail
CHEMBL559199
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 | CHEMBL559199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYWVYNFRZNTDFE-ALRLUZICSA-N |
| Parent Compound | CHEMBL1197066 |
| Active Moiety | CHEMBL1197066 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.9
MW (Da)
5.03
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.69
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.4 | 6.76 | 40.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 40.0 | nM | 7.4 | Concentration inhibiting the specific binding of [3H]naloxone by 50% in the pres... | 6198519 |
| Dopamine receptor | IC50 | = | 60.0 | nM | 7.22 | Concentration inhibiting the specific binding of [3H]naloxone by 50% in the abse... | 6198519 |
| Dopamine receptor | IC50 | = | 2200.0 | nM | 5.66 | Concentration inhibiting the specific binding of [3H]spiroperidol by 50% | 6198519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6198519 | 10.1021/jm00368a011 | Dopamine receptor | 3 |
| 6198519 | 10.1021/jm00368a011 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine