Compound Detail
CHEMBL4104272
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Basic Information
| ChEMBL ID | CHEMBL4104272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVYFBECSQURUQP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.45
ALogP
3
HBA
1
HBD
37.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.83 | 5.83 | 1480.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 40.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 5.6 | nM | 8.25 | Inhibition of human dopamine D4 receptor | 28489950 |
| D(2) dopamine receptor | Ki | = | 400.0 | nM | 6.4 | Inhibition of human dopamine D2 receptor | 28489950 |
| D(3) dopamine receptor | Ki | = | 1480.0 | nM | 5.83 | Inhibition of human dopamine D3 receptor | 28489950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(2) dopamine receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(3) dopamine receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(4) dopamine receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine