Compound Detail
CHEMBL318714
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Basic Information
| ChEMBL ID | CHEMBL318714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBFVCXODUHNOEN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.9
MW (Da)
4.30
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 8.02 | 8.02 | 9.5 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 9.5 | nM | 8.02 | Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radio... | 8411003 |
| D(2) dopamine receptor | IC50 | = | 12.0 | nM | 7.92 | Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radio... | 8411003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411003 | 10.1021/jm00072a006 | D(1A) dopamine receptor | 1 |
| 8411003 | 10.1021/jm00072a006 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine