Compound Detail
CHEMBL606939
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Basic Information
| ChEMBL ID | CHEMBL606939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEYFWGXTPWNADC-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.20
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 60.0 | nM | 7.22 | Binding affinity against dopamine receptor D2 by using [3H]spiperone as radiolig... | 1956042 |
| D(1A) dopamine receptor | Ki | = | 6500.0 | nM | 5.19 | Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radiol... | 1956042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1956042 | 10.1021/jm00115a012 | D(1A) dopamine receptor | 1 |
| 1956042 | 10.1021/jm00115a012 | D(2) dopamine receptor | 1 |
| 1956042 | 10.1021/jm00115a012 | Dopamine D1 and D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine