Compound Detail
CHEMBL78498
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 | CHEMBL78498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPGRNKJNOSUCLY-UHFFFAOYSA-N |
1
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
193.3
MW (Da)
1.73
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.35
EC50 1 meas. best 8.08
Kd 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.35 | 8.35 | 4.5 | 3 |
| Histamine H3 receptor CHEMBL264 | Kd | 8.1 | 8.1 | 7.9 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 8.08 | 8.08 | 8.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 4.467 | nM | 8.35 | Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membr... | 14640553 |
| Histamine H3 receptor | Ki | = | 4.467 | nM | 8.35 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 15115383 |
| Histamine H3 receptor | Ki | = | 4.467 | nM | 8.35 | Displacement of [3H]-NR-methylhistamine from human histamine H3 receptor express... | 26390077 |
| Histamine H3 receptor | Kd | = | 7.943 | nM | 8.1 | Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC ce... | 15115383 |
| Histamine H3 receptor | EC50 | = | 8.318 | nM | 8.08 | Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galact... | 14640553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640553 | 10.1021/jm030905y | Histamine H3 receptor | 4 |
| 14640553 | 10.1021/jm030905y | Histamine H4 receptor | 3 |
| 15115383 | 10.1021/jm049932u | Histamine H3 receptor | 2 |
| 26390077 | 10.1021/acs.jmedchem.5b00982 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine