Compound Detail
CHEMBL4572614
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 | CHEMBL4572614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEPUWJGKAOGNRH-UHFFFAOYSA-N |
26
Targets
30
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
5.66
ALogP
6
HBA
0
HBD
65.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 26 meas. best 7.09
EC50 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 8.77 | 7.7025 | 1.7 | 4 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 7.09 | 7.09 | 82.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.17 | 5.17 | 6800.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.14 | 5.14 | 7200.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.14 | 5.14 | 7300.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.1 | 5.1 | 7900.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.09 | 5.09 | 8100.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.09 | 5.09 | 8100.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.09 | 5.09 | 8100.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.09 | 5.09 | 8200.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.07 | 5.07 | 8500.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.06 | 5.06 | 8700.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.06 | 5.06 | 8700.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.06 | 5.06 | 8800.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.06 | 5.06 | 8800.0 | 1 |
| 5-hydroxytryptamine receptor 1E CHEMBL2182 | Ki | 5.05 | 5.05 | 8900.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 5.04 | 5.04 | 9100.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.04 | 5.04 | 9200.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.03 | 5.03 | 9400.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.02 | 5.02 | 9500.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.02 | 5.02 | 9600.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine