Compound Detail
CHEMBL4793515
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Basic Information
| ChEMBL ID | CHEMBL4793515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMPDUOAXELDMAP-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
4.81
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.77
Ki 1 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.25 | 9.25 | 0.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 6.77 | 5.94 | 169.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.5623 | nM | 9.25 | Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expre... | 30721053 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 169.82 | nM | 6.77 | Biased agonist activity at human recombinant 5-HT1A receptor stably expressed in... | 30721053 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 2454.71 | nM | 5.61 | Biased agonist activity at human recombinant 5-HT1A receptor stably expressed in... | 30721053 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 3630.78 | nM | 5.44 | Biased agonist activity at Gal4-VP16 transcription factor linked human 5-HT1A re... | 30721053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30721053 | 10.1021/acs.jmedchem.9b00062 | 5-hydroxytryptamine receptor 1A | 12 |
| 30721053 | 10.1021/acs.jmedchem.9b00062 | D(2) dopamine receptor | 1 |
| 30721053 | 10.1021/acs.jmedchem.9b00062 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine