Compound Detail
CHEMBL2441944
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 | CHEMBL2441944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGZOLRGLWZLBGQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3040666 |
| Active Moiety | CHEMBL3040666 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
5.16
ALogP
3
HBA
2
HBD
39.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Kd 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Kd | 7.9 | 7.9 | 12.6 | 1 |
| Histamine H3 receptor CHEMBL264 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 12.59 | nM | 7.9 | Antagonist activity at human histamine H3 receptor expressed in CHO cells assess... | 24140447 |
| Histamine H3 receptor | IC50 | = | 15.85 | nM | 7.8 | Antagonist activity at human histamine H3 receptor expressed in CHO cells assess... | 24140447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24140447 | 10.1016/j.bmcl.2013.09.052 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine