Compound Detail
CHEMBL21398
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Basic Information
| ChEMBL ID | CHEMBL21398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIFPNIQFYDGUCQ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1178330 |
| Active Moiety | CHEMBL1178330 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.9
MW (Da)
4.15
ALogP
3
HBA
1
HBD
15.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 5.31 | 5.31 | 4880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 4880.0 | nM | 5.31 | Tested for Competitive binding inhibition of [3H]spiperone to Dopamine receptor ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80323-6 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine