Compound Detail
CHEMBL4079642
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Basic Information
| ChEMBL ID | CHEMBL4079642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUMDWQNKTSWTQP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
3.94
ALogP
7
HBA
0
HBD
46.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 5.32 | 5.32 | 4790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 4790.0 | nM | 5.32 | Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 ce... | 29125762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29125762 | 10.1021/acs.jmedchem.7b01248 | D(2) dopamine receptor | 1 |
| 29125762 | 10.1021/acs.jmedchem.7b01248 | D(3) dopamine receptor | 1 |
| 29125762 | 10.1021/acs.jmedchem.7b01248 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine