Compound Detail
CHEMBL256075
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Basic Information
| ChEMBL ID | CHEMBL256075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCBIBKGMUXWRRT-LBPRGKRZSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
453.3
MW (Da)
3.47
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.17 | 7.17 | 68.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17228858 |
| D(1A) dopamine receptor | IC50 | = | 3.0 | nM | 8.52 | Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal me... | 10785418 |
| D(2) dopamine receptor | Ki | = | 68.0 | nM | 7.17 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
| D(2) dopamine receptor | IC50 | = | 96.0 | nM | 7.02 | Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal ... | 10785418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
| 10785418 | 10.1021/np990433j | D(1A) dopamine receptor | 1 |
| 10785418 | 10.1021/np990433j | D(2) dopamine receptor | 1 |
| 10785418 | 10.1021/np990433j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine