Compound Detail
CHEMBL274384
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Basic Information
| ChEMBL ID | CHEMBL274384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKRAXSZEDRWLAG-SJKOYZFVSA-N |
4
Targets
6
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
402.3
MW (Da)
3.67
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 5A CHEMBL3597 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.0 | 7.6733 | 10.0 | 3 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.77 | 7.77 | 17.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 56.3 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.41 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 5A | Ki | = | 2.0 | nM | 8.7 | Binding affinity towards mouse 5-hydroxytryptamine 5A receptor was evaluated usi... | 12825922 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 10.0 | nM | 8.0 | Non-selective inhibitory activity was determined against 5-hydroxytryptamine 7 r... | 14667218 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 10.0 | nM | 8.0 | Binding affinity towards 5-hydroxytryptamine 7 receptor | 10843226 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 17.0 | nM | 7.77 | Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated usin... | 12825922 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]5-HT from human 5-hydroxytryptamine 7 receptor | 12825922 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 31.62 | nM | 7.5 | Displacement of [3H]5-HT from recombinant human 5-HT7 receptor expressed in Afri... | 31581003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 5A | 2 |
| 38229761 | 10.1021/acsmedchemlett.3c00535 | ADMET | 2 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 1 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 1 |
| 14667218 | 10.1021/jm030841r | 5-hydroxytryptamine receptor 7 | 1 |
| 10843226 | 10.1016/s0960-894x(00)00166-9 | 5-hydroxytryptamine receptor 7 | 1 |
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine