Compound Detail
CHEMBL35426
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Basic Information
| ChEMBL ID | CHEMBL35426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQKNFEONJSYEER-CQSZACIVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.17
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 7.0 | 6.975 | 100.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.0 | 6.995 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) tra... | 32184974 |
| D(1A) dopamine receptor | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at D1R (unknown origin) transfected in human HEK293T cells asse... | 32184974 |
| D(2) dopamine receptor | EC50 | = | 102.0 | nM | 6.99 | Agonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) tra... | 32184974 |
| D(1A) dopamine receptor | EC50 | = | 112.2 | nM | 6.95 | Agonist activity at D1R (unknown origin) transfected in human HEK293T cells asse... | 32184974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184974 | 10.1021/acsmedchemlett.9b00575 | D(1A) dopamine receptor | 6 |
| 32184974 | 10.1021/acsmedchemlett.9b00575 | D(2) dopamine receptor | 6 |
| 2968456 | 10.1021/jm00402a036 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine