Compound Detail
CHEMBL4466483
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Basic Information
| ChEMBL ID | CHEMBL4466483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWXKKFQODXKNLQ-UHFFFAOYSA-N |
30
Targets
32
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
6.42
ALogP
5
HBA
0
HBD
39.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 30 meas. best 7.57
EC50 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 8.66 | 8.66 | 2.2 | 2 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.47 | 5.47 | 3400.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.32 | 5.32 | 4800.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.21 | 5.21 | 6200.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.21 | 5.21 | 6200.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.18 | 5.18 | 6600.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.14 | 5.14 | 7200.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 5.12 | 5.12 | 7600.0 | 1 |
| 5-hydroxytryptamine receptor 1E CHEMBL2182 | Ki | 5.11 | 5.11 | 7800.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 5.07 | 5.07 | 8500.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.06 | 5.06 | 8700.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.06 | 5.06 | 8800.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine