Compound Detail
CHEMBL77708
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Basic Information
| ChEMBL ID | CHEMBL77708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRHVKGPETODEAT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
2.89
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.0
Ki 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 8.0 | 7.755 | 10.1 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 10.1 | nM | 8.0 | Effective concentration against human Dopamine receptor D4 | 15084133 |
| D(4) dopamine receptor | EC50 | = | 30.6 | nM | 7.51 | In vitro EC50 tested on HEK293 cells co-transfected with human Dopamine receptor... | 15239663 |
| Unchecked | Ki | = | 33.0 | nM | 7.48 | Binding affinity tested against D4.2 receptor in Chinese hamster ovary cell line... | 15239663 |
| D(4) dopamine receptor | Ki | = | 52.0 | nM | 7.28 | 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 | 3 |
| 15239663 | 10.1021/jm030505a | D(4) dopamine receptor | 2 |
| 15239663 | 10.1021/jm030505a | Rattus norvegicus | 2 |
| 15239663 | 10.1021/jm030505a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine