Compound Detail
CHEMBL4443441
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Basic Information
| ChEMBL ID | CHEMBL4443441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFHMBWDXZWRJJD-BJQOMGFOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.17
ALogP
6
HBA
2
HBD
89.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.95 | 6.95 | 113.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.76 | 6.76 | 173.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.49 | 5.49 | 3220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 113.0 | nM | 6.95 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D2L receptor expre... | 31257877 |
| D(3) dopamine receptor | Ki | = | 173.0 | nM | 6.76 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D3 receptor expres... | 31257877 |
| D(4) dopamine receptor | Ki | = | 3220.0 | nM | 5.49 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D4.4 receptor expr... | 31257877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31257877 | 10.1021/acs.jmedchem.9b00702 | Unchecked | 2 |
| 31257877 | 10.1021/acs.jmedchem.9b00702 | D(2) dopamine receptor | 1 |
| 31257877 | 10.1021/acs.jmedchem.9b00702 | D(3) dopamine receptor | 1 |
| 31257877 | 10.1021/acs.jmedchem.9b00702 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine