Compound Detail
CHEMBL158802
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
Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL158802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWOQHTKOSWRHKO-XMMPIXPASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
5.04
ALogP
7
HBA
1
HBD
100.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1.4 | nM | 8.85 | Binding affinity for rat histamine H3 receptor on rat cortical cells | 14741266 |
| Histamine H3 receptor | Ki | = | 17.0 | nM | 7.77 | Binding affinity for human histamine H3 receptor on human colon cells | 14741266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741266 | 10.1016/j.bmcl.2003.11.038 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine