Compound Detail
CHEMBL314526
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 | CHEMBL314526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTLQGBZEXLBAQO-BTJKTKAUSA-N |
| Parent Compound | CHEMBL1183715 |
| Active Moiety | CHEMBL1183715 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
182.3
MW (Da)
2.16
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.51
Ki 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 6.51 | 6.51 | 311.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 56.0 | nM | 7.25 | In vitro binding affinity against rat histamine H3 receptor | 15115409 |
| Histamine H3 receptor | EC50 | = | 311.0 | nM | 6.51 | Effect on specific [35S]GTP-gamma-S, Binding to HEK293 cell membranes expressing... | 15115409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115409 | 10.1021/jm031065q | Histamine H3 receptor | 3 |
| 15115409 | 10.1021/jm031065q | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine