Compound Detail
CHEMBL1160788
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Basic Information
| ChEMBL ID | CHEMBL1160788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASXGAOFCKGHGMF-MRVPVSSYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
0.91
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Kd | 6.92 | 6.18 | 120.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Kd | = | 120.0 | nM | 6.92 | In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes. | 10956209 |
| D(2) dopamine receptor | Kd | = | 210.0 | nM | 6.68 | In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membrane... | 10956209 |
| D(2) dopamine receptor | Kd | = | 450.0 | nM | 6.35 | In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | 10956209 |
| D(2) dopamine receptor | Kd | = | 17000.0 | nM | 4.77 | In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | 10956209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956209 | 10.1021/jm990526y | D(2) dopamine receptor | 4 |
Data from ChEMBL 36 via Core Engine