Compound Detail
CHEMBL2413988
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Basic Information
| ChEMBL ID | CHEMBL2413988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFAWUJONNLDZSF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3040182 |
| Active Moiety | CHEMBL3040182 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
2.00
ALogP
5
HBA
1
HBD
52.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.52 | 7.52 | 30.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 30.1 | nM | 7.52 | Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cell... | 23787290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23787290 | 10.1016/j.bmc.2013.05.040 | 5-hydroxytryptamine receptor 6 | 2 |
Data from ChEMBL 36 via Core Engine