Compound Detail
CHEMBL505765
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1
Targets
2
Activities
1
Assay Types
1
PK Parameters
14
Publications
0
Known Names
Molecular Properties
247.4
MW (Da)
3.37
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.1 | 8.8 | 0.8 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.45 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.8 | nM | 9.1 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain co... | 26820556 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.18 | nM | 8.5 | Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8... | 1995871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21816515 | 10.1016/j.ejmech.2011.07.022 | Mus musculus | 13 |
| 18995929 | 10.1016/j.ejmech.2008.09.021 | Mus musculus | 8 |
| 23524160 | 10.1016/j.ejmech.2013.02.033 | Mus musculus | 7 |
| 31112892 | 10.1016/j.ejmech.2019.05.024 | Rattus norvegicus | 6 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 1995871 | 10.1021/jm00106a004 | 5-hydroxytryptamine receptor 1A | 1 |
| 1995871 | 10.1021/jm00106a004 | Serotonin (5-HT) receptor | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 1A | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | Mus musculus | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 31112892 | 10.1016/j.ejmech.2019.05.024 | ADMET | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine