Compound Detail
CHEMBL4469848
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Basic Information
| ChEMBL ID | CHEMBL4469848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKXUDWLJTFYOAN-UHFFFAOYSA-N |
28
Targets
32
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
395.3
MW (Da)
5.95
ALogP
5
HBA
0
HBD
52.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 28 meas. best 7.33
EC50 4 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 8.64 | 7.605 | 2.3 | 4 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.08 | 6.08 | 830.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.37 | 5.37 | 4300.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.29 | 5.29 | 5100.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.12 | 5.12 | 7600.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.09 | 5.09 | 8100.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 5.07 | 5.07 | 8500.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.07 | 5.07 | 8600.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.05 | 5.05 | 8900.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.04 | 5.04 | 9100.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 5.03 | 5.03 | 9300.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.03 | 5.03 | 9300.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.01 | 5.01 | 9700.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.01 | 5.01 | 9800.0 | 1 |
| 5-hydroxytryptamine receptor 1E CHEMBL2182 | 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