Compound Detail
CHEMBL310360
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 | CHEMBL310360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZRQLGIMXSUKBW-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
173.2
MW (Da)
1.59
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.87
Ki 2 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 5.93 | 5.93 | 1174.9 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 5.87 | 5.87 | 1349.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 4.91 | 4.91 | 12302.7 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 4.23 | 4.23 | 58884.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1174.9 | nM | 5.93 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 15115383 |
| Histamine H3 receptor | EC50 | = | 1348.96 | nM | 5.87 | Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC ce... | 15115383 |
| Histamine H4 receptor | Ki | = | 12302.69 | nM | 4.91 | Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-N... | 15115383 |
| Histamine H4 receptor | EC50 | = | 58884.37 | nM | 4.23 | Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC ce... | 15115383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115383 | 10.1021/jm049932u | Histamine receptor (H3 and H4) | 3 |
| 15115383 | 10.1021/jm049932u | Histamine H3 receptor | 2 |
| 15115383 | 10.1021/jm049932u | Histamine H4 receptor | 2 |
Data from ChEMBL 36 via Core Engine