Compound Detail
CHEMBL362542
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Basic Information
| ChEMBL ID | CHEMBL362542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPAGYDFLTXLPDA-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
2.63
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.57
EC50 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.57 | 8.3267 | 2.7 | 3 |
| D(4) dopamine receptor CHEMBL219 | EC50 | 8.12 | 8.12 | 7.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 2.7 | nM | 8.57 | In vitro ability to inhibit [3H]spiperone binding to human Dopamine receptor D4.... | 15380206 |
| D(4) dopamine receptor | Ki | = | 2.7 | nM | 8.57 | Displacement of [3H]-spiperone from human D4 receptor assessed as inhibition con... | 33422983 |
| D(4) dopamine receptor | EC50 | = | 7.5 | nM | 8.12 | Agonist activity was calculated in calcium flux assay using HEK293 cells co-tran... | 15380206 |
| D(4) dopamine receptor | EC50 | = | 7.5 | nM | 8.12 | Agonist activity at human D4R expressed in HEK293 cells by calcium flux assay | 33422983 |
| D(4) dopamine receptor | Ki | = | 14.5 | nM | 7.84 | In vitro ability to inhibit [3H]6b binding to human Dopamine receptor D4.4 | 15380206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380206 | 10.1016/j.bmcl.2004.07.068 | D(4) dopamine receptor | 4 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(4) dopamine receptor | 3 |
Data from ChEMBL 36 via Core Engine