Compound Detail
CHEMBL13559
VUF-5296 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL13559 |
| Name | VUF-5296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWWNABDDYQLERE-RFZPGFLSSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
123.2
MW (Da)
0.22
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.5
EC50 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.5 | 7.8267 | 3.2 | 3 |
| Histamine H3 receptor CHEMBL264 | EC50 | 7.24 | 6.69 | 57.5 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.17 | 7.17 | 67.6 | 1 |
| Histamine H2 receptor CHEMBL1941 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 3.162 | nM | 8.5 | Binding affinity of compound against Histamine H3 receptor | 10197963 |
| Histamine H3 receptor | Ki | = | 25.12 | nM | 7.6 | In vitro binding affinity was measured against Histamine H3 receptor on rat cere... | 10197956 |
| Histamine H3 receptor | Ki | = | 42.2 | nM | 7.38 | Affinity against rat Histamine H3 receptor using [3H]N-alpha-methyl histamine | 12723960 |
| Histamine H3 receptor | EC50 | = | 57.54 | nM | 7.24 | Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galact... | 14640553 |
| Histamine H3 receptor | Ki | = | 67.61 | nM | 7.17 | Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membr... | 14640553 |
| Histamine H3 receptor | EC50 | = | 724.0 | nM | 6.14 | Inhibition of human Histamine H3 receptor using [3H]N-alpha-methyl histamine | 12723960 |
| Histamine H2 receptor | EC50 | = | 2500.0 | nM | 5.6 | Inhibition of human Histamine H2 receptor using [3H]tiotidine | 12723960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640553 | 10.1021/jm030905y | Histamine H3 receptor | 4 |
| 14640553 | 10.1021/jm030905y | Histamine H4 receptor | 3 |
| 10197956 | 10.1021/jm9810912 | Histamine H3 receptor | 3 |
| 12723960 | 10.1021/jm020415q | Histamine H3 receptor | 2 |
| 12723960 | 10.1021/jm020415q | Histamine H1 receptor | 1 |
| 12723960 | 10.1021/jm020415q | Histamine H2 receptor | 1 |
| 12723960 | 10.1021/jm020415q | Histamine H4 receptor | 1 |
| 10197956 | 10.1021/jm9810912 | Histamine H2 receptor | 1 |
| 10197956 | 10.1021/jm9810912 | Histamine H1 receptor | 1 |
| 10197963 | 10.1021/jm980408v | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine