Compound Detail
CHEMBL3740235
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Basic Information
| ChEMBL ID | CHEMBL3740235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTYRRLWDWNUVPG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.91
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.83 | 6.83 | 147.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.68 | 6.68 | 208.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.49 | 6.49 | 324.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.23 | 6.23 | 589.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 8.0 | nM | 8.1 | Displacement of [3H]-5-carboxyamidotryptamine from human serotonin 5-HT7B recept... | - |
| D(2) dopamine receptor | Ki | = | 147.0 | nM | 6.83 | Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HE... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 208.0 | nM | 6.68 | Displacement of [3H]-8-OH-DPAT from human serotonin 5-HT1A receptor expressed in... | - |
| 5-hydroxytryptamine receptor 6 | Ki | = | 324.0 | nM | 6.49 | Displacement of [3H]-LSD from human serotonin 5-HT6 receptor expressed in HEK293... | - |
| Adrenergic receptor alpha-1 | Ki | = | 589.0 | nM | 6.23 | Displacement of [3H]-Prazosin from alpha-1 adrenergic receptor in rat cerebral c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00166H | 5-hydroxytryptamine receptor 7 | 2 |
| - | 10.1039/C5MD00166H | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1039/C5MD00166H | Unchecked | 1 |
| - | 10.1039/C5MD00166H | 5-hydroxytryptamine receptor 6 | 1 |
| - | 10.1039/C5MD00166H | D(2) dopamine receptor | 1 |
| - | 10.1039/C5MD00166H | Adrenergic receptor alpha-1 | 1 |
| - | 10.1039/C5MD00166H | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine