Compound Detail
CHEMBL80127
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Basic Information
| ChEMBL ID | CHEMBL80127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALAKHBSABUSNLH-JTQLQIEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
3.31
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2096905 | Ki | 7.76 | 7.76 | 17.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | Ki | = | 17.3 | nM | 7.76 | In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 in Macaca n... | 2391685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2391685 | 10.1021/jm00171a017 | No relevant target | 1 |
| 2391685 | 10.1021/jm00171a017 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine