Compound Detail
CHEMBL2373205
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Basic Information
| ChEMBL ID | CHEMBL2373205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBXFSMRJSWMPQM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL144494 |
| Active Moiety | CHEMBL144494 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
4.19
ALogP
6
HBA
0
HBD
37.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | IC50 | = | 110.0 | nM | 6.96 | In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]YM-09151... | 9822559 |
| D(2) dopamine receptor | IC50 | = | 870.0 | nM | 6.06 | 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