Compound Detail
CHEMBL387250
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Basic Information
| ChEMBL ID | CHEMBL387250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDUNOUQOKOYLCH-MLGOLLRUSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.09
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
EC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL5067 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.58 | 6.675 | 26.0 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 7.54 | 7.54 | 29.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | EC50 | 7.02 | 7.02 | 95.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 8.0 | nM | 8.1 | Displacement of [3H]SCH-23390 from dopamine D1-like receptor in porcine striata ... | 17154515 |
| Unchecked | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]SCH-23390 from dopamine D1-like receptor in porcine striatal... | 22204903 |
| D(1A) dopamine receptor | EC50 | = | 29.0 | nM | 7.54 | Activity at human dopamine D1 receptor expressed in HEK293 cells assessed as sti... | 17154515 |
| D(4) dopamine receptor | EC50 | = | 95.0 | nM | 7.02 | Activity at human dopamine D4.4 receptor expressed in HEK293 cells assessed as i... | 17154515 |
| Unchecked | Ki | = | 1700.0 | nM | 5.77 | Displacement of [3H]spiperone from dopamine D2-like receptor in porcine striatal... | 22204903 |
| D(2) dopamine receptor | Ki | = | 2500.0 | nM | 5.6 | Displacement of [3H]spiperone from dopamine D2-like receptor in porcine striata ... | 17154515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22204903 | 10.1016/j.ejmech.2011.11.039 | Unchecked | 4 |
| 17154515 | 10.1021/jm0604979 | D(1A) dopamine receptor | 3 |
| 17154515 | 10.1021/jm0604979 | D(2) dopamine receptor | 3 |
| 17154515 | 10.1021/jm0604979 | D(4) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine