Compound Detail
CHEMBL447809
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Basic Information
| ChEMBL ID | CHEMBL447809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWROKCIGUWAVRF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
1.92
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.16 | 6.65 | 69.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 69.0 | nM | 7.16 | Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity s... | 20155917 |
| D(2) dopamine receptor | Ki | = | 721.0 | nM | 6.14 | Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity st... | 20155917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20155917 | 10.1021/jm901689v | D(2) dopamine receptor | 4 |
| 20155917 | 10.1021/jm901689v | Rattus norvegicus | 3 |
| 23353756 | 10.1016/j.ejmech.2012.12.031 | Amine oxidase [flavin-containing] A | 2 |
| 19121584 | 10.1016/j.bmc.2008.12.015 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine