Compound Detail
CHEMBL3217984
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Basic Information
| ChEMBL ID | CHEMBL3217984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVENIGOVHPMTDH-UHFFFAOYSA-N |
24
Targets
24
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
4.23
ALogP
3
HBA
0
HBD
6.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 24 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| 5-hydroxytryptamine receptor 1E CHEMBL2182 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD00311B | Rattus norvegicus | 5 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 2A | 3 |
| - | 10.1039/C2MD00311B | D(2) dopamine receptor | 3 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 6 | 1 |
| - | 10.1039/C2MD00311B | Alpha-1D adrenergic receptor | 1 |
| - | 10.1039/C2MD00311B | Alpha-1B adrenergic receptor | 1 |
| - | 10.1039/C2MD00311B | Alpha-1A adrenergic receptor | 1 |
| - | 10.1039/C2MD00311B | D(1B) dopamine receptor | 1 |
| - | 10.1039/C2MD00311B | D(4) dopamine receptor | 1 |
| - | 10.1039/C2MD00311B | D(3) dopamine receptor | 1 |
| - | 10.1039/C2MD00311B | D(1A) dopamine receptor | 1 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 7 | 1 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 5A | 1 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 4 | 1 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 3A | 1 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 2C | 1 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 2B | 1 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 1E | 1 |
| - | 10.1039/C2MD00311B | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine