Compound Detail
CHEMBL4848451
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Basic Information
| ChEMBL ID | CHEMBL4848451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPICFYYJZAROHJ-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
5.23
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.92
Ki 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.01 | 7.01 | 97.7 | 2 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 6.92 | 6.845 | 120.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 98.3 | nM | 7.01 | Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) express... | 34797051 |
| D(2) dopamine receptor | Ki | = | 97.72 | nM | 7.01 | Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) express... | 34797051 |
| D(2) dopamine receptor | EC50 | = | 120.2 | nM | 6.92 | Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T ce... | 34797051 |
| D(2) dopamine receptor | EC50 | = | 120.23 | nM | 6.92 | Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T ce... | 34797051 |
| D(2) dopamine receptor | EC50 | = | 169.8 | nM | 6.77 | Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T ce... | 34797051 |
| D(2) dopamine receptor | EC50 | = | 169.82 | nM | 6.77 | Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T ce... | 34797051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34797051 | 10.1021/acs.jmedchem.1c01327 | D(2) dopamine receptor | 8 |
Data from ChEMBL 36 via Core Engine