Compound Detail
CHEMBL319000
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL319000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXIPXWLVYIHFEP-OAQYLSRUSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.63
ALogP
4
HBA
0
HBD
39.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
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 |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.7 | 8.5533 | 2.0 | 3 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.87 | 7.87 | 13.5 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.72 | 5.72 | 1905.5 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1.995 | nM | 8.7 | Binding affinity to human H3R | 33261900 |
| Histamine H3 receptor | Ki | = | 2.754 | nM | 8.56 | Binding affinity at human cloned Histamine H3 receptor | 12372505 |
| Histamine H3 receptor | Ki | = | 4.0 | nM | 8.4 | Binding affinity to histamine H3 receptor | 19456097 |
| Histamine H3 receptor | Ki | = | 13.49 | nM | 7.87 | Binding affinity at rat cortical Histamine H3 receptor | 12372505 |
| Histamine H1 receptor | Ki | = | 1905.46 | nM | 5.72 | Binding affinity of human cortical histamine H1 receptor | 12372505 |
| Histamine H2 receptor | Ki | = | 10000.0 | nM | 5.0 | Binding affinity to the human cortical histamine H2 receptor | 12372505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372505 | 10.1016/s0960-894x(02)00648-0 | Histamine H3 receptor | 2 |
| 12372505 | 10.1016/s0960-894x(02)00648-0 | Histamine H1 receptor | 1 |
| 12372505 | 10.1016/s0960-894x(02)00648-0 | Histamine H2 receptor | 1 |
| 19456097 | 10.1021/jm900409x | Histamine H3 receptor | 1 |
| 33261900 | 10.1016/j.ejmech.2020.113041 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine