Compound Detail
CHEMBL39435
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Basic Information
| ChEMBL ID | CHEMBL39435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYTUHJYSYWUTTQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.22
ALogP
6
HBA
3
HBD
126.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.9
IC50 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 9.6 | 9.6 | 0.3 | 1 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 0.2512 | nM | 9.6 | Displacement of radioligand [3H]5-HT binding to 5-hydroxytryptamine 1D receptor ... | 8496922 |
| Oryctolagus cuniculus | EC50 | = | 12.59 | nM | 7.9 | Serotonergic activity was assessed in vitro on the New Zealand white rabbit saph... | 8496922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496922 | 10.1021/jm00063a003 | Oryctolagus cuniculus | 2 |
| 8496922 | 10.1021/jm00063a003 | 5-hydroxytryptamine receptor 1D | 1 |
| 8496922 | 10.1021/jm00063a003 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine