Compound Detail
CHEMBL114012
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Basic Information
| ChEMBL ID | CHEMBL114012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDPXTGHWVMUJCT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
400.6
MW (Da)
4.51
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 39.81 | nM | 7.4 | Binding affinity towards 5-hydroxytryptamine 7 receptor 7(a) (human cloned recep... | 10669560 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 1995.26 | nM | 5.7 | Binding affinity towards 5-hydroxytryptamine 1D (human cloned receptor) in CHO c... | 10669560 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 3981.07 | nM | 5.4 | Binding affinity towards 5-hydroxytryptamine 2B receptor (human cloned receptor)... | 10669560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1B | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1A | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1D | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1E | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1F | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2A | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2B | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2C | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 4 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 6 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 7 | 1 |
| 10669560 | 10.1021/jm991151j | Alpha-1B adrenergic receptor | 1 |
| 10669560 | 10.1021/jm991151j | D(2) dopamine receptor | 1 |
| 10669560 | 10.1021/jm991151j | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine