Compound Detail
CHEMBL4102616
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Basic Information
| ChEMBL ID | CHEMBL4102616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQXMVFBXXAKVDC-OAQYLSRUSA-N |
6
Targets
16
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.47
ALogP
5
HBA
1
HBD
50.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 8.77
Ki 8 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.77 | 7.8313 | 1.7 | 8 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.6 | 7.2 | 25.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.32 | 7.12 | 48.0 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28248104 | 10.1021/acs.jmedchem.6b01857 | D(2) dopamine receptor | 18 |
| 28248104 | 10.1021/acs.jmedchem.6b01857 | Unchecked | 2 |
| 28248104 | 10.1021/acs.jmedchem.6b01857 | D(1A) dopamine receptor | 1 |
| 28248104 | 10.1021/acs.jmedchem.6b01857 | D(3) dopamine receptor | 1 |
| 28248104 | 10.1021/acs.jmedchem.6b01857 | D(4) dopamine receptor | 1 |
| 28248104 | 10.1021/acs.jmedchem.6b01857 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine