Compound Detail
CHEMBL457025
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Basic Information
| ChEMBL ID | CHEMBL457025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACDYFMOSSUKHJD-HSZRJFAPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
393.6
MW (Da)
3.78
ALogP
4
HBA
1
HBD
29.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.74 | 7.74 | 18.4 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.62 | 6.62 | 238.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.825 | nM | 9.08 | Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK29... | 20038106 |
| D(3) dopamine receptor | Ki | = | 18.4 | nM | 7.74 | Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 ... | 19053758 |
| D(2) dopamine receptor | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]spiperone from human dopamine D2L receptor expressed in HEK2... | 20038106 |
| D(2) dopamine receptor | Ki | = | 238.0 | nM | 6.62 | Displacement of [3H]Spiperone from rat dopamine D2L receptor expressed in HEK293... | 19053758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053758 | 10.1021/jm8008629 | D(2) dopamine receptor | 1 |
| 19053758 | 10.1021/jm8008629 | D(3) dopamine receptor | 1 |
| 19053758 | 10.1021/jm8008629 | Unchecked | 1 |
| 20038106 | 10.1021/jm901184n | Unchecked | 1 |
| 20038106 | 10.1021/jm901184n | D(2) dopamine receptor | 1 |
| 20038106 | 10.1021/jm901184n | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine