Compound Detail
CHEMBL144128
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Basic Information
| ChEMBL ID | CHEMBL144128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIESARVMTCGTRZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
2.73
ALogP
6
HBA
4
HBD
108.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.59
EC50 1 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | EC50 | 9.72 | 9.72 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.02 | 8.02 | 9.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | EC50 | = | 0.19 | nM | 9.72 | Inhibition of forskolin-stimulated c-AMP formation by human 5-hydroxytryptamine ... | 8960551 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 0.26 | nM | 9.59 | Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-... | 8960551 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 0.35 | nM | 9.46 | Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-... | 8960551 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 9.5 | nM | 8.02 | Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-... | 8960551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960551 | 10.1021/jm960552l | 5-hydroxytryptamine receptor 1B | 2 |
| 8960551 | 10.1021/jm960552l | 5-hydroxytryptamine receptor 1D | 1 |
| 8960551 | 10.1021/jm960552l | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine