Compound Detail
CHEMBL4797752
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Basic Information
| ChEMBL ID | CHEMBL4797752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDFGGNSQPFXQRL-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.3
MW (Da)
4.75
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.93
Ki 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.41 | 8.335 | 3.9 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 6.93 | 6.135 | 117.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.89 | nM | 8.41 | Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO... | 32883072 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.5 | nM | 8.26 | Receptor Binding Assay: 5-HT1A: Radioligand binding was performed using membrane... | - |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 117.49 | nM | 6.93 | Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cell... | 32883072 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 478.63 | nM | 6.32 | Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cell... | 32883072 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 977.24 | nM | 6.01 | Biased agonist activity at Gal4-VP16 transcription factor linked human 5-HT1A re... | 32883072 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 5248.07 | nM | 5.28 | 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 |
Data from ChEMBL 36 via Core Engine