Compound Detail
CHEMBL4095082
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Basic Information
| ChEMBL ID | CHEMBL4095082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHTCFDIRPCKGKO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.55
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.06 | 8.06 | 8.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.74 | 5.74 | 1842.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.57 | 5.57 | 2682.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 8.8 | nM | 8.06 | Inhibition of human dopamine D4 receptor | 28489950 |
| D(2) dopamine receptor | Ki | = | 1842.0 | nM | 5.74 | Inhibition of human dopamine D2 receptor | 28489950 |
| D(3) dopamine receptor | Ki | = | 2682.0 | nM | 5.57 | 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 |
Data from ChEMBL 36 via Core Engine