Compound Detail
CHEMBL4451063
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Basic Information
| ChEMBL ID | CHEMBL4451063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKMCUEOKZNEZFG-FIHHNCHPSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
2.97
ALogP
5
HBA
3
HBD
96.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 5.11 | 4.97 | 7730.0 | 3 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.58 | 4.4133 | 26200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 7730.0 | nM | 5.11 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D2L receptor expre... | 31257877 |
| D(2) dopamine receptor | Ki | = | 11300.0 | nM | 4.95 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D2L receptor expre... | 31257877 |
| D(2) dopamine receptor | Ki | = | 14100.0 | nM | 4.85 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D2L receptor expre... | 31257877 |
| D(3) dopamine receptor | Ki | = | 26200.0 | nM | 4.58 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D3 receptor expres... | 31257877 |
| D(3) dopamine receptor | Ki | = | 32900.0 | nM | 4.48 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D3 receptor expres... | 31257877 |
| D(3) dopamine receptor | Ki | = | 66200.0 | nM | 4.18 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D3 receptor expres... | 31257877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31257877 | 10.1021/acs.jmedchem.9b00702 | Unchecked | 6 |
| 31257877 | 10.1021/acs.jmedchem.9b00702 | D(2) dopamine receptor | 3 |
| 31257877 | 10.1021/acs.jmedchem.9b00702 | D(3) dopamine receptor | 3 |
| 31257877 | 10.1021/acs.jmedchem.9b00702 | D(4) dopamine receptor | 3 |
Data from ChEMBL 36 via Core Engine