Compound Detail
CHEMBL338937
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 | CHEMBL338937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPSNDDMXZUDTOT-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.2
MW (Da)
2.86
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.96
Kd 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.96 | 7.96 | 11.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Kd | = | 10.0 | nM | 8.0 | Antagonistic activity at human histamine H4 receptor in SK-N-MC cells by inhibit... | 16366610 |
| Histamine H4 receptor | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]- histamine from the recombinant human histamine H4 receptor | 12954048 |
| Histamine H4 receptor | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK... | 16366610 |
| Histamine H4 receptor | Ki | = | 11.0 | nM | 7.96 | Antagonist activity at Homo sapiens (human) histamine H4 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16366610 | 10.1021/jm0502081 | Histamine H4 receptor | 2 |
| - | 10.1007/s00044-004-0106-7 | Histamine H4 receptor | 2 |
| 12954048 | 10.1021/jm0341047 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine