Compound Detail
CHEMBL23403
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Basic Information
| ChEMBL ID | CHEMBL23403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMTZSXGHAFKWEQ-ZDUSSCGKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.18
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 4.7 | nM | 8.33 | In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spi... | 4040977 |
| Dopamine receptor | IC50 | = | 4.7 | nM | 8.33 | Antidopamine activity in vitro by ability to displace [3H]spiperone from rat bra... | 3941414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8423592 | 10.1021/jm00054a002 | No relevant target | 3 |
| 3941414 | 10.1021/jm00151a010 | Rattus norvegicus | 3 |
| 4040977 | 10.1021/jm00147a025 | Rattus norvegicus | 2 |
| 4040977 | 10.1021/jm00147a025 | D(2) dopamine receptor | 1 |
| 8423592 | 10.1021/jm00054a002 | ADMET | 1 |
| 3941414 | 10.1021/jm00151a010 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine