Compound Detail
CHEMBL34025
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Basic Information
| ChEMBL ID | CHEMBL34025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGFQETPADWIYMH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
2.92
ALogP
3
HBA
0
HBD
20.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.58 | 5.44 | 260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 260.0 | nM | 6.58 | Compound was evaluated for binding affinity to Dopamine receptor D2 labeled with... | - |
| D(2) dopamine receptor | IC50 | = | 50400.0 | nM | 4.3 | Compound was evaluated for binding affinity to Dopamine receptor D2 labeled with... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80003-7 | D(2) dopamine receptor | 2 |
| - | 10.1016/S0960-894X(00)80003-7 | D(1A) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(00)80003-7 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine