Compound Detail
CHEMBL481125
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C1=Nc2cccc(N3CCN([C@H]4CC[C@@H](c5c[nH]c6ncccc65)CC4)CC3)c2C1
Basic Information
| ChEMBL ID | CHEMBL481125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBPBBUAOCZNMKP-KDURUIRLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.67
ALogP
4
HBA
1
HBD
47.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 15.8 | nM | 7.8 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells | 18571421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571421 | 10.1016/j.bmc.2008.05.075 | 5-hydroxytryptamine receptor 1A | 2 |
| 18571421 | 10.1016/j.bmc.2008.05.075 | Sodium-dependent serotonin transporter | 1 |
| 18571421 | 10.1016/j.bmc.2008.05.075 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine