Compound Detail
CHEMBL162136
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 | CHEMBL162136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDLMHOZJEDPURM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.79
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.84 | 5.84 | 1460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1460.0 | nM | 5.84 | Inhibition of histamine release in rat mast cells | 10052971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052971 | 10.1021/jm981079+ | Mus musculus | 2 |
| 10052971 | 10.1021/jm981079+ | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine