Compound Detail
CHEMBL4112610
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Basic Information
| ChEMBL ID | CHEMBL4112610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COXVGVOSFMXIOC-VQIMIIECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
2.45
ALogP
5
HBA
0
HBD
54.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 5.3 | 5.3 | 5024.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 5024.0 | nM | 5.3 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
Data from ChEMBL 36 via Core Engine