Compound Detail
CHEMBL77563
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Basic Information
| ChEMBL ID | CHEMBL77563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATPCXZFSRSVMMW-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
3.54
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.0
Ki 2 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 9.0 | 8.57 | 1.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.14 | 8.14 | 7.2 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.07 | 8.07 | 8.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 1.0 | nM | 9.0 | Effective concentration against human Dopamine receptor D4 | 15084133 |
| D(4) dopamine receptor | EC50 | = | 7.2 | nM | 8.14 | In vitro EC50 tested on HEK293 cells co-transfected with human Dopamine receptor... | 15239663 |
| D(2) dopamine receptor | EC50 | = | 7.2 | nM | 8.14 | Agonist activity at human D2R expressed in HEK293 cells incubated for 3 mins by ... | 33422983 |
| D(4) dopamine receptor | Ki | = | 8.5 | nM | 8.07 | Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displaceme... | 15084133 |
| D(4) dopamine receptor | Ki | = | 8.5 | nM | 8.07 | Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displaceme... | 15084133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084133 | 10.1021/jm0305669 | D(4) dopamine receptor | 4 |
| 15239663 | 10.1021/jm030505a | D(4) dopamine receptor | 2 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(2) dopamine receptor | 2 |
| 15084133 | 10.1021/jm0305669 | D(2) dopamine receptor | 1 |
| 15084133 | 10.1021/jm0305669 | Dopamine receptors; D2 & D4 | 1 |
Data from ChEMBL 36 via Core Engine