Compound Detail
CHEMBL299822
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Basic Information
| ChEMBL ID | CHEMBL299822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYKJYRMLQDBGCW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
5.37
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.22 | 9.14 | 0.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.6 | nM | 9.22 | Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in H... | 10937732 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.8 | nM | 9.1 | Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in H... | 10937732 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.7943 | nM | 9.1 | Binding affinity for human 5-hydroxytryptamine 6 receptor | 15974573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10937732 | 10.1016/s0960-894x(00)00320-6 | 5-hydroxytryptamine receptor 6 | 2 |
| 15974573 | 10.1021/jm050247c | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine