Compound Detail
CHEMBL359002
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Basic Information
| ChEMBL ID | CHEMBL359002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLUQJNMZPFJSGW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
2.89
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.12 | 6.12 | 761.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | IC50 | = | 120.0 | nM | 6.92 | In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]YM-09151... | 9822559 |
| D(2) dopamine receptor | IC50 | = | 761.0 | nM | 6.12 | In vitro binding affinity at human cloned Dopamine receptor D2 by [3H]spiroperid... | 9822559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822559 | 10.1021/jm981041x | D(4) dopamine receptor | 1 |
| 9822559 | 10.1021/jm981041x | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine