Compound Detail
CHEMBL259482
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 | CHEMBL259482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEVWULHGGQMGPD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
3.15
ALogP
4
HBA
1
HBD
35.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Ki 1 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Histamine H3 receptor CHEMBL264 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.6761 | nM | 9.17 | Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 ... | 24745967 |
| Histamine H3 receptor | IC50 | = | 1.3 | nM | 8.89 | Inhibition of histamine H3 receptor | 18249544 |
| Acetylcholinesterase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of AChE | 18249544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18249544 | 10.1016/j.bmc.2007.12.048 | Acetylcholinesterase | 1 |
| 18249544 | 10.1016/j.bmc.2007.12.048 | Histamine H3 receptor | 1 |
| 24745967 | 10.1016/j.bmcl.2014.03.098 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine