Compound Detail
CHEMBL49405
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Basic Information
| ChEMBL ID | CHEMBL49405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNZBTQBAZJTZST-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.4
MW (Da)
3.82
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Kd | 9.6 | 9.6 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Kd | = | 0.25 | nM | 9.6 | Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal ... | 2136916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2136916 | 10.1021/jm00163a029 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine