Compound Detail
CHEMBL4083252
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Basic Information
| ChEMBL ID | CHEMBL4083252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRTCFJGKAMKAIY-UHFFFAOYSA-N |
17
Targets
27
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
3.80
ALogP
7
HBA
0
HBD
46.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 22 meas. best 9.66
EC50 3 meas. best 6.78
IC50 2 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.66 | 9.355 | 0.2 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.22 | 8.2 | 6.0 | 3 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 8.06 | 8.06 | 8.7 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.03 | 7.03 | 94.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.89 | 6.89 | 128.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.8 | 6.8 | 159.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 6.78 | 6.78 | 166.7 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.66 | 6.66 | 221.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.62 | 6.62 | 241.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 6.59 | 6.59 | 254.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.58 | 6.4667 | 260.0 | 3 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.48 | 6.48 | 328.3 | 1 |
| D(4) dopamine receptor CHEMBL219 | EC50 | 6.45 | 6.45 | 359.1 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.36 | 6.36 | 433.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.14 | 6.14 | 721.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 6.06 | 6.06 | 871.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.85 | 5.85 | 1415.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.69 | 5.69 | 2032.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 5.52 | 5.52 | 3016.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine