Compound Detail
CHEMBL592618
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL592618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPUYFCNUROWQBG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.98
ALogP
2
HBA
1
HBD
23.5
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 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.46 | 6.025 | 349.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 349.0 | nM | 6.46 | Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity s... | 20155917 |
| D(2) dopamine receptor | Ki | = | 2570.0 | nM | 5.59 | 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 |
| 23353756 | 10.1016/j.ejmech.2012.12.031 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine