Compound Detail
CHEMBL285755
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Basic Information
| ChEMBL ID | CHEMBL285755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLYMJBIZMIGWFK-UHFFFAOYSA-N |
12
Targets
50
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
247.4
MW (Da)
3.37
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 35 meas. best 8.93
IC50 10 meas. best 8.96
EC50 4 meas. best 10.19
Kd 1 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor D2 and D3 CHEMBL2111342 | EC50 | 10.19 | 10.19 | 0.1 | 1 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 9.28 | 9.28 | 0.5 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Kd | 9.17 | 9.17 | 0.7 | 1 |
| D(3) dopamine receptor CHEMBL3138 | IC50 | 8.96 | 8.93 | 1.1 | 2 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.93 | 8.4671 | 1.2 | 7 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.85 | 8.3743 | 1.4 | 7 |
| D(2) dopamine receptor CHEMBL339 | EC50 | 8.73 | 8.73 | 1.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.64 | 7.176 | 2.3 | 5 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.6 | 7.0275 | 2.5 | 8 |
| Dopamine receptor D2 and D3 CHEMBL2111342 | IC50 | 8.31 | 7.77 | 4.8 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 7.63 | 7.63 | 23.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.52 | 6.9967 | 30.0 | 3 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Nucleic Acid CHEMBL345 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.14 | 6.345 | 72.7 | 4 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.83 | 6.83 | 148.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine