Compound Detail
CHEMBL300209
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Basic Information
| ChEMBL ID | CHEMBL300209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMSNSIQAWQSERP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
1.38
ALogP
4
HBA
2
HBD
73.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 63.1 | nM | 7.2 | Binding activity against 5-hydroxytryptamine 1A receptor from pig cortex membran... | 7752204 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 3981.07 | nM | 5.4 | Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogena... | 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 |
| 7752204 | 10.1021/jm00010a025 | 5-hydroxytryptamine receptor 1A | 1 |
| 7752204 | 10.1021/jm00010a025 | 5-hydroxytryptamine receptor 2C | 1 |
| 7752204 | 10.1021/jm00010a025 | 5-hydroxytryptamine receptor 2A | 1 |
| 7752204 | 10.1021/jm00010a025 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine