Compound Detail
CHEMBL555619
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Basic Information
| ChEMBL ID | CHEMBL555619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFGCJDVUSOHQSC-MOGJOVFKSA-N |
| Parent Compound | CHEMBL1195937 |
| Active Moiety | CHEMBL1195937 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.71
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.78 | 6.78 | 166.0 | 1 |
| D(1) dopamine receptor CHEMBL2368 | Ki | 6.61 | 6.61 | 247.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 166.0 | nM | 6.78 | Binding affinity for dopamine receptor D1 | 1833546 |
| D(1) dopamine receptor | Ki | = | 247.0 | nM | 6.61 | In vitro inhibition of dopamine stimulated adenylate cyclase | 1833546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1833546 | 10.1021/jm00114a002 | D(1A) dopamine receptor | 1 |
| 1833546 | 10.1021/jm00114a002 | D(2) dopamine receptor | 1 |
| 1833546 | 10.1021/jm00114a002 | D(1) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine