Compound Detail
CHEMBL1923029
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 | CHEMBL1923029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAXVZDBNJQPXMJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1963244 |
| Active Moiety | CHEMBL1963244 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
5.73
ALogP
3
HBA
2
HBD
53.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.49 | 7.49 | 32.4 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.42 | 6.42 | 380.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 32.36 | nM | 7.49 | Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells a... | 22003888 |
| Histamine H4 receptor | Ki | = | 380.19 | nM | 6.42 | Displacement of [3H]histamine from human H4 receptor expressed in HEK293 cells a... | 22003888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22003888 | 10.1021/jm201042n | Histamine H3 receptor | 1 |
| 22003888 | 10.1021/jm201042n | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine