Compound Detail
CHEMBL4740430
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Basic Information
| ChEMBL ID | CHEMBL4740430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMEHLDKQUOMXTR-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.9
MW (Da)
5.11
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.25
Ki 2 meas. best 9.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.56 | 9.54 | 0.3 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 7.25 | 6.5225 | 56.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.2754 | nM | 9.56 | Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO... | 32883072 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.3 | nM | 9.52 | Receptor Binding Assay: 5-HT1A: Radioligand binding was performed using membrane... | - |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 56.23 | nM | 7.25 | Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cell... | 32883072 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 275.42 | nM | 6.56 | Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cell... | 32883072 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 724.44 | nM | 6.14 | Biased agonist activity at Gal4-VP16 transcription factor linked human 5-HT1A re... | 32883072 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 724.44 | nM | 6.14 | 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