Compound Detail
CHEMBL284716
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Basic Information
| ChEMBL ID | CHEMBL284716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBXHUZJZYDSLRH-RUDMXATFSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
3.91
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.52 | 9.3267 | 0.3 | 3 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.9 | 6.9 | 125.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.97 | 5.97 | 1072.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.3 | nM | 9.52 | Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of ... | 8230102 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.38 | nM | 9.42 | Inhibition of binding of [125I]8-OH-PIPAT ligand to 5-hydroxytryptamine 1A recep... | 8182697 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.92 | nM | 9.04 | Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of ... | 8230102 |
| D(3) dopamine receptor | Ki | = | 125.0 | nM | 6.9 | Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D3 in Sf... | 8230102 |
| D(2) dopamine receptor | Ki | = | 1072.0 | nM | 5.97 | Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D2 in Sf... | 8230102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230102 | 10.1021/jm00073a016 | 5-hydroxytryptamine receptor 1A | 2 |
| 8182697 | 10.1021/jm00036a003 | 5-hydroxytryptamine receptor 1A | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 8230102 | 10.1021/jm00073a016 | ADMET | 1 |
| 8230102 | 10.1021/jm00073a016 | D(2) dopamine receptor | 1 |
| 8230102 | 10.1021/jm00073a016 | D(3) dopamine receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine