Compound Detail
CHEMBL4521450
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Basic Information
| ChEMBL ID | CHEMBL4521450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMCOANUSZBGLSK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.07
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.59 | 5.59 | 2590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 670.0 | nM | 6.17 | Antagonist activity at D1 receptor (unknown origin) expressed in CHOK1 cells ass... | 30981605 |
| D(2) dopamine receptor | IC50 | = | 2590.0 | nM | 5.59 | Antagonist activity at D2 receptor (unknown origin) expressed in CHOK1 cells ass... | 30981605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30981605 | 10.1016/j.bmc.2019.04.014 | D(1A) dopamine receptor | 2 |
| 30981605 | 10.1016/j.bmc.2019.04.014 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine