Compound Detail
CHEMBL298974
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Basic Information
| ChEMBL ID | CHEMBL298974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAUITRPOMTVVCM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
1.91
ALogP
4
HBA
1
HBD
49.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 251.19 | nM | 6.6 | Binding activity against 5-hydroxytryptamine 1D receptor from pig caudate membra... | 7752204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752204 | 10.1021/jm00010a025 | 5-hydroxytryptamine receptor 1D | 1 |
| 7752204 | 10.1021/jm00010a025 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine