Compound Detail
CHEMBL3884095
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Basic Information
| ChEMBL ID | CHEMBL3884095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPAXAVLNBLOIDL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
4.10
ALogP
6
HBA
0
HBD
50.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.07 | 8.07 | 8.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.99 | nM | 8.52 | Displacement of [3H]-8-OH-DPAT from recombinant human 5-HT1A receptor expressed ... | 28063784 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 8.42 | nM | 8.07 | Displacement of [3H]-5-HT from recombinant human 5-HT7A receptor expressed in CH... | 28063784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28063784 | 10.1016/j.bmc.2016.12.039 | 5-hydroxytryptamine receptor 7 | 2 |
| 28063784 | 10.1016/j.bmc.2016.12.039 | 5-hydroxytryptamine receptor 1A | 2 |
Data from ChEMBL 36 via Core Engine