Compound Detail
CHEMBL4752177
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Basic Information
| ChEMBL ID | CHEMBL4752177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCWSDAHSOCIBPK-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
4.56
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.6
Ki 2 meas. best 10.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 10.6 | 9.3425 | 0.0 | 4 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 10.27 | 10.205 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | EC50 | = | 0.02512 | nM | 10.6 | Biased agonist activity at Gal4-VP16 transcription factor linked human 5-HT1A re... | 32883072 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.0537 | nM | 10.27 | Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO... | 32883072 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 0.06607 | nM | 10.18 | Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cell... | 32883072 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.073 | nM | 10.14 | Receptor Binding Assay: 5-HT1A: Radioligand binding was performed using membrane... | - |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 0.5888 | nM | 9.23 | Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cell... | 32883072 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 43.65 | nM | 7.36 | Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cell... | 32883072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883072 | 10.1021/acs.jmedchem.0c00814 | 5-hydroxytryptamine receptor 1A | 15 |
| 32883072 | 10.1021/acs.jmedchem.0c00814 | Adrenergic receptor alpha-1 | 1 |
| 32883072 | 10.1021/acs.jmedchem.0c00814 | D(2) dopamine receptor | 1 |
| 32883072 | 10.1021/acs.jmedchem.0c00814 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine