Compound Detail
CHEMBL554027
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Basic Information
| ChEMBL ID | CHEMBL554027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFHRSRHMFPVJQU-MEMLXQNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
5.06
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 29.0 | nM | 7.54 | In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by ... | 9003524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9003524 | 10.1021/jm960597m | Rattus norvegicus | 2 |
| 9003524 | 10.1021/jm960597m | D(2) dopamine receptor | 1 |
| 9003524 | 10.1021/jm960597m | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine