Compound Detail
CHEMBL4084262
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Basic Information
| ChEMBL ID | CHEMBL4084262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVHHUZUNLIGTBY-UHFFFAOYSA-N |
16
Targets
22
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
491.7
MW (Da)
5.36
ALogP
7
HBA
0
HBD
46.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 20 meas. best 8.1
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.92 | 7.6233 | 12.0 | 3 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 7.38 | 7.38 | 41.4 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.53 | 6.53 | 295.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.29 | 6.29 | 509.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.29 | 6.29 | 514.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 6.22 | 6.22 | 596.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.03 | 6.03 | 931.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.03 | 5.96 | 931.0 | 2 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.81 | 5.81 | 1557.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.79 | 5.79 | 1616.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.67 | 5.67 | 2144.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.66 | 5.66 | 2178.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.66 | 5.66 | 2173.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 5.07 | 5.07 | 8523.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.96 | 4.96 | 10895.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine