Compound Detail
CHEMBL1259168
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Basic Information
| ChEMBL ID | CHEMBL1259168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDFVLXOCUFWUML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.9
MW (Da)
4.45
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]WAY-100635 from 5-HT1A receptor in pig cortex membranes | 20860381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20860381 | 10.1021/jm100835q | 5-hydroxytryptamine receptor 1A | 2 |
| 20860381 | 10.1021/jm100835q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine