Compound Detail
CHEMBL3759819
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Basic Information
| ChEMBL ID | CHEMBL3759819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FARUXTURXOFRQS-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
497.1
MW (Da)
5.36
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.03 | 7.03 | 94.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.59 | 6.59 | 254.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.49 | 6.49 | 325.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 6.13 | 6.13 | 742.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.94 | 5.94 | 1146.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells a... | 26698537 |
| D(2) dopamine receptor | Ki | = | 94.0 | nM | 7.03 | Displacement of [3H]-Raclopride from human D2L receptor expressed in HEK293 cell... | 26698537 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 254.0 | nM | 6.59 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 ce... | 26698537 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 325.0 | nM | 6.49 | Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells aft... | 26698537 |
| Adrenergic receptor alpha-1 | Ki | = | 742.0 | nM | 6.13 | Displacement of [3H]-prazosin from human alpha1 adrenoceptor expressed in HEK293... | 26698537 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1146.0 | nM | 5.94 | Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293 c... | 26698537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26698537 | 10.1016/j.ejmech.2015.11.040 | 5-hydroxytryptamine receptor 7 | 4 |
| 26698537 | 10.1016/j.ejmech.2015.11.040 | Mus musculus | 2 |
| 26698537 | 10.1016/j.ejmech.2015.11.040 | 5-hydroxytryptamine receptor 1A | 1 |
| 26698537 | 10.1016/j.ejmech.2015.11.040 | 5-hydroxytryptamine receptor 2A | 1 |
| 26698537 | 10.1016/j.ejmech.2015.11.040 | 5-hydroxytryptamine receptor 6 | 1 |
| 26698537 | 10.1016/j.ejmech.2015.11.040 | D(2) dopamine receptor | 1 |
| 26698537 | 10.1016/j.ejmech.2015.11.040 | Adrenergic receptor alpha-1 | 1 |
| 26698537 | 10.1016/j.ejmech.2015.11.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine