Compound Detail
CHEMBL4458742
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Basic Information
| ChEMBL ID | CHEMBL4458742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTDCQQXDSZWWIE-KKSFZXQISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.12
ALogP
5
HBA
3
HBD
96.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 5.28 | 5.28 | 5220.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.19 | 5.19 | 6470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 5220.0 | nM | 5.28 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D2L receptor expre... | 31257877 |
| D(3) dopamine receptor | Ki | = | 6470.0 | nM | 5.19 | 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 | 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 |
| 33062179 | 10.1021/acsmedchemlett.9b00660 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine