Compound Detail
CHEMBL144002
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Basic Information
| ChEMBL ID | CHEMBL144002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKLJUXFGICQUNP-HXUWFJFHSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
4.50
ALogP
5
HBA
2
HBD
61.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
EC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | EC50 | = | 18.0 | nM | 7.75 | Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-... | 10585208 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 18.0 | nM | 7.75 | Displacement of [3H]5-HT binding to cloned human 5-hydroxytryptamine 1D receptor... | 10585208 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 420.0 | nM | 6.38 | Displacement of [3H]5-HT binding to cloned 5-hydroxytryptamine 1B receptor stabl... | 10585208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10585208 | 10.1021/jm9910021 | 5-hydroxytryptamine receptor 1D | 3 |
| 10585208 | 10.1021/jm9910021 | 5-hydroxytryptamine receptor 1B | 1 |
| 10585208 | 10.1021/jm9910021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine