Compound Detail
CHEMBL36517
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 | CHEMBL36517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCBFIEXOJLHCMZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.9
MW (Da)
3.38
ALogP
7
HBA
1
HBD
100.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Kd 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Kd | 5.6 | 5.6 | 2511.9 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.85 | 4.465 | 14000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 2511.89 | nM | 5.6 | H1-antihistamine activity on guinea pig ileum | 6208360 |
| Rattus norvegicus | IC50 | = | 14000.0 | nM | 4.85 | Ability to inhibit the release of histamine in the rat peritoneal fluids by 50% | 6208360 |
| Rattus norvegicus | IC50 | = | 83000.0 | nM | 4.08 | Ability to inhibit the release of extravasated dye in the rat peritoneal fluids ... | 6208360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6208360 | 10.1021/jm00377a013 | Rattus norvegicus | 2 |
| 6208360 | 10.1021/jm00377a013 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine