Compound Detail
CHEMBL602065
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Basic Information
| ChEMBL ID | CHEMBL602065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDTYNDPHGHTQTJ-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
4.33
ALogP
5
HBA
1
HBD
42.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.73 | 9.73 | 0.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.186 | nM | 9.73 | Displacement of [3H]spiperone from cloned dopamine D3 receptor expressed in HEK ... | 20146482 |
| D(2) dopamine receptor | Ki | = | 3.74 | nM | 8.43 | Displacement of [3H]spiperone from cloned dopamine D2L receptor expressed in HEK... | 20146482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20146482 | 10.1021/jm901618d | D(2) dopamine receptor | 1 |
| 20146482 | 10.1021/jm901618d | D(3) dopamine receptor | 1 |
| 20146482 | 10.1021/jm901618d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine