Compound Detail
CHEMBL1627322
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Basic Information
| ChEMBL ID | CHEMBL1627322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWTBTOHAYFANIT-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
2.48
ALogP
5
HBA
3
HBD
80.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.3 | 9.2967 | 0.5 | 3 |
| Unchecked CHEMBL612545 | Ki | 7.28 | 7.28 | 52.5 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.75 | 6.75 | 176.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.5 | nM | 9.3 | Binding Assay: Methods for performing in vitro dopamine receptor binding studies... | - |
| D(3) dopamine receptor | Ki | = | 0.5 | nM | 9.3 | Binding Assay: Methods for performing in vitro dopamine receptor binding studies... | - |
| D(3) dopamine receptor | Ki | = | 0.51 | nM | 9.29 | Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells | 19331412 |
| Unchecked | Ki | = | 52.5 | nM | 7.28 | Displacement of [125]IABN from human cloned D2 like receptor expressed in HEK293... | 19331412 |
| D(4) dopamine receptor | Ki | = | 176.0 | nM | 6.75 | Displacement of [125]IABN from human D4 receptor expressed in HEK293 cells | 19331412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19331412 | 10.1021/jm900095y | Unchecked | 3 |
| 19331412 | 10.1021/jm900095y | D(4) dopamine receptor | 1 |
| 19331412 | 10.1021/jm900095y | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine