Compound Detail
CHEMBL540064
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CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(C(C)=O)c2C1.Cl
Basic Information
| ChEMBL ID | CHEMBL540064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABISYNUPIBFUQK-BOXHHOBZSA-N |
| Parent Compound | CHEMBL1190065 |
| Active Moiety | CHEMBL1190065 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
5.09
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.86 | 7.86 | 13.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 13.9 | nM | 7.86 | Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) recepto... | 8831769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831769 | 10.1021/jm960329o | 5-hydroxytryptamine receptor 1A | 9 |
Data from ChEMBL 36 via Core Engine