Compound Detail
CHEMBL347060
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O=C(N1CCC(CNCc2cccc(-n3cccn3)n2)CC1)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3
Basic Information
| ChEMBL ID | CHEMBL347060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMUPRZJYALSPGS-DJICYOIISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
3.81
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.88 | 7.88 | 13.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 13.18 | nM | 7.88 | Binding affinity for rat cortex 5-hydroxytryptamine 1A receptor, by displacement... | 9836623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836623 | 10.1021/jm9804329 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine